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12 Items

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  1. , Sodium-(potassium)-chloride cotransporter 2 inhibitor
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    Furosemide, Sodium-(potassium)-chloride cotransporter 2 inhibitor
    Cas#: 54-31-9        Compound CID:  3440
    Formula:  C12H11ClN2O5S        Molecular Weight: 330.74
    IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
    SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
    InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N
    InChI: InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
    Synonyms: Diuzol | Furomen | Lasix | Radisemide | Salix | Urosemide | Furosan | Furose | Aldalix | Endural | Diural | Diurin | ...
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  2. , Receptor protein-tyrosine kinase erbB-4 inhibitor
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    Neratinib (HKI-272), Receptor protein-tyrosine kinase erbB-4 inhibitor
    Cas#: 698387-09-6        Compound CID:  9915743
    Formula:  C30H29ClN6O3        Molecular Weight: 557.04
    IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
    SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C
    InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N
    InChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
    Synonyms: EC 244-343-6 | N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but...
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  3. , Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2
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    Nilotinib (AMN-107), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2
    Cas#: 641571-10-0        Compound CID:  644241
    Formula:  C28H22F3N7O        Molecular Weight: 529.53
    IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
    SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
    InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N
    InChI: InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
    Synonyms: Nilotinib [USAN:INN:BAN] | 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trif...
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  4. , Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2
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    Imatinib (STI571), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2
    Cas#: 152459-95-5        Compound CID:  5291
    Formula:  C29H31N7O        Molecular Weight: 493.6
    IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
    InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N
    InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
    Synonyms: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CGP-57148 | ...
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  5. , Inhibitor of colony stimulating factor 1 receptor;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of fms related receptor tyrosine kinase 4;Inhibitor of kinase insert domain receptor;Inhibitor
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    Pazopanib, Inhibitor of colony stimulating factor 1 receptor;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of fms related receptor tyrosine kinase 4;Inhibitor of kinase insert domain receptor;Inhibitor
    Cas#: 444731-52-6        Compound CID:  10113978
    Formula:  C21H23N7O2S        Molecular Weight: 437.53
    IUPAC Name: 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
    SMILES: CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N
    InChIKey: CUIHSIWYWATEQL-UHFFFAOYSA-N
    InChI: InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
    Synonyms: 5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide | 5-[[4-[(2,3-d...
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  6. , Solute carrier family 22 member 11 inhibitor
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    Probenecid, Solute carrier family 22 member 11 inhibitor
    Cas#: 57-66-9        Compound CID:  4911
    Formula:  C13H19NO4S        Molecular Weight: 285.36
    IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid
    SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
    InChIKey: DBABZHXKTCFAPX-UHFFFAOYSA-N
    InChI: InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
    Synonyms: PROBENECID (USP IMPURITY) | Benemid; Benecid; Benuryl | Benzoic acid, 4-((dipropylamino)sulfonyl)- | PROBENECID [WHO-...
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  7. , Inhibitor of carbonic anhydrase 1;Inhibitor of carbonic anhydrase 12;Inhibitor of carbonic anhydrase 13;Inhibitor of carbonic anhydrase 14;Inhibitor of carbonic anhydrase 4;Inhibitor of carbonic anhydrase 7
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    Acetazolamide, Inhibitor of carbonic anhydrase 1;Inhibitor of carbonic anhydrase 12;Inhibitor of carbonic anhydrase 13;Inhibitor of carbonic anhydrase 14;Inhibitor of carbonic anhydrase 4;Inhibitor of carbonic anhydrase 7
    Cas#: 59-66-5        Compound CID:  1986
    Formula:  C4H6N4O3S2        Molecular Weight: 222.25
    IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
    SMILES: CC(=O)NC1=NN=C(S1)S(=O)(=O)N
    InChIKey: BZKPWHYZMXOIDC-UHFFFAOYSA-N
    InChI: InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
    Synonyms: 1jd0 | DTXSID7022544 | Glupax | 1zsb | Acetazolamida | Acetazolamide (AAZ) | ACETAZOLAMIDE (EP IMPURITY) | SR-0100000...
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  8. , Dopamine D2 receptor antagonist
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    (±)-Sulpiride, Dopamine D2 receptor antagonist
    Cas#: 15676-16-1        Compound CID:  5355
    Formula:  C15H23N3O4S        Molecular Weight: 341.43
    IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
    SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
    InChIKey: BGRJTUBHPOOWDU-UHFFFAOYSA-N
    InChI: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
    Synonyms: sulpiride|15676-16-1|Sulpyrid|Dolmatil|Sulpirid|Aiglonyl|(+/-)-Sulpiride|Dogmatil|Dobren|Dogmatyl|Guastil|Miradol|Mir...
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  9. , Inhibitor of carbonic anhydrase 1;Inhibitor of carbonic anhydrase 12;Inhibitor of carbonic anhydrase 14;Inhibitor of carbonic anhydrase 7
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    Brinzolamide, Inhibitor of carbonic anhydrase 1;Inhibitor of carbonic anhydrase 12;Inhibitor of carbonic anhydrase 14;Inhibitor of carbonic anhydrase 7
    Cas#: 138890-62-7        Compound CID:  68844
    Formula:  C12H21N3O5S3        Molecular Weight: 383.51
    IUPAC Name: (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
    SMILES: CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC
    InChIKey: HCRKCZRJWPKOAR-JTQLQIEISA-N
    InChI: InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
    Synonyms: Azopt | Brinzolamide | AL-4862 | (4R)-4-(ethylamino)-2-(3-methoxypropy1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-su...
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  10. , Thiazide-sensitive sodium-chloride cotransporter inhibitor
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    Chlorthalidone, Thiazide-sensitive sodium-chloride cotransporter inhibitor
    Cas#: 77-36-1        Compound CID:  2732
    Formula:  C14H11ClN2O4S        Molecular Weight: 338.77
    IUPAC Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
    SMILES: C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O
    InChIKey: JIVPVXMEBJLZRO-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
    Synonyms: CHLORTALIDONE [EP IMPURITY] | Famolin | BSPBio_000441 | CHLORTALIDONE (EP MONOGRAPH) | CHLORTALIDONE [EP MONOGRAPH] |...
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  11. , Receptor protein-tyrosine kinase erbB-4 inhibitor
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    Neratinib (HKI-272), Receptor protein-tyrosine kinase erbB-4 inhibitor
    Cas#: 698387-09-6        Compound CID:  9915743
    Formula:  C30H29ClN6O3        Molecular Weight: 557.04
    IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
    SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C
    InChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-N
    InChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
    Synonyms: EC 244-343-6 | N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but...
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  12. , Inhibitor of colony stimulating factor 1 receptor;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of fms related receptor tyrosine kinase 4;Inhibitor of kinase insert domain receptor;Inhibitor
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    Pazopanib, Inhibitor of colony stimulating factor 1 receptor;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of fms related receptor tyrosine kinase 4;Inhibitor of kinase insert domain receptor;Inhibitor
    Cas#: 444731-52-6        Compound CID:  10113978
    Formula:  C21H23N7O2S        Molecular Weight: 437.53
    IUPAC Name: 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
    SMILES: CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N
    InChIKey: CUIHSIWYWATEQL-UHFFFAOYSA-N
    InChI: InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
    Synonyms: 5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide | 5-[[4-[(2,3-d...
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  237. CYP11B2 3 items
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  240. BMP2K 3 items
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  251. THRB 3 items
  252. F2 3 items
  253. CLK1 3 items
  254. BCHE 3 items
  255. EDNRB 3 items
  256. HDAC10 3 items
  257. KCNH1 3 items
  258. HDAC3 3 items
  259. KCNJ5 3 items
  260. INSR 3 items
  261. P2RX3 3 items
  262. OPRD1 3 items
  263. OPRK1 3 items
  264. OPRM1 3 items
  265. KCNA10 3 items
  266. KCNA2 3 items
  267. KCNA5 3 items
  268. KCNA1 3 items
  269. MAP3K20 3 items
  270. CYP2C8 2 items
  271. CYP2J2 2 items
  272. UGCG 2 items
  273. CYP2B6 2 items
  274. GPR17 2 items
  275. ESRRA 2 items
  276. ESRRG 2 items
  277. EPHA4 2 items
  278. EPHA8 2 items
  279. DLK1 2 items
  280. ELANE 2 items
  281. DHFR 2 items
  282. EPHA3 2 items
  283. CACNA1H 2 items
  284. CTSS 2 items
  285. CDK8 2 items
  286. DCLK3 2 items
  287. GBA2 2 items
  288. CYP3A5 2 items
  289. RAF1 2 items
  290. PTK6 2 items
  291. PRTN3 2 items
  292. SLC22A2 2 items
  293. SCN2A 2 items
  294. S1PR2 2 items
  295. SLC12A1 2 items
  296. SLC29A1 2 items
  297. RORB 2 items
  298. STK17A 2 items
  299. STK25 2 items
  300. STK26 2 items
  301. STK33 2 items
  302. SSTR2 2 items
  303. SSTR3 2 items
  304. SSTR5 2 items
  305. TH 2 items
  306. TYMS 2 items
  307. IRAK1 2 items
  308. HRH3 2 items
  309. HDAC4 2 items
  310. HDAC6 2 items
  311. HDAC7 2 items
  312. HDAC11 2 items
  313. HDAC9 2 items
  314. HPD 2 items
  315. CSNK1D 2 items
  316. MERTK 2 items
  317. TSSK1B 2 items
  318. TRPV1 2 items
  319. TNK1 2 items
  320. SIK1 2 items
  321. SIK2 2 items
  322. SF3B3 2 items
  323. SLC47A2 2 items
  324. SLC12A2 2 items
  325. SLC47A1 2 items
  326. TAS2R38 2 items
  327. TAS2R4 2 items
  328. TAS2R46 2 items
  329. TBXAS1 2 items
  330. TEK 2 items
  331. SLCO2B1 2 items
  332. TMEM97 2 items
  333. SIK3 2 items
  334. SLK 2 items
  335. TTR 2 items
  336. PKMYT1 2 items
  337. NAPRT 2 items
  338. PIN1 2 items
  339. PHKG1 2 items
  340. PHKG2 2 items
  341. RRM1 2 items
  342. RIPK3 2 items
  343. PTGDR 2 items
  344. PDE10A 2 items
  345. PARP10 2 items
  346. PDE3B 2 items
  347. PTGIR 2 items
  348. PDE1A 2 items
  349. RRM2 2 items
  350. RPS6KA2 2 items
  351. RPS6KA5 2 items
  352. GAA 2 items
  353. LRRK2 2 items
  354. NR1H4 2 items
  355. NR2C2 2 items
  356. CACNA1G 2 items
  357. CACNA1I 2 items
  358. CA13 2 items
  359. CACNA1D 2 items
  360. CACNA1F 2 items
  361. CACNA1S 2 items
  362. CALM1 2 items
  363. BTN3A1 2 items
  364. CYSLTR1 2 items
  365. COMT 2 items
  366. SLC18A1 2 items
  367. GGCX 2 items
  368. CHRNA7 2 items
  369. CHRNA1 2 items
  370. ACOX1 2 items
  371. HSD3B2 2 items
  372. ADA 2 items
  373. AKR1C3 2 items
  374. AHR 2 items
  375. AGTR2 2 items
  376. MAOA 2 items
  377. PRKAA1 2 items
  378. HTR1F 2 items
  379. CHEK2 2 items
  380. SI 2 items
  381. TBXA2R 2 items
  382. ULK1 2 items
  383. ULK2 2 items
  384. TNNI3K 2 items
  385. TRHR 2 items
  386. ASIC3 2 items
  387. CLK2 2 items
  388. GPBAR1 2 items
  389. HDAC8 2 items
  390. HDAC5 2 items
  391. KCNK3 2 items
  392. H1F0 2 items
  393. IMPDH2 2 items
  394. IMPDH1 2 items
  395. ICAM1 2 items
  396. PAK3 2 items
  397. NTRK2 2 items
  398. PPARA 2 items
  399. PPARD 2 items
  400. SLC10A1 2 items
  401. NTRK1 2 items
  402. PPP3CA 2 items
  403. CAMK2G 2 items
  404. KCNT1 2 items
  405. MAPK14 2 items
  406. MAP2K5 2 items
  407. MTNR1A 2 items
  408. NISCH 2 items
  409. MYLK3 2 items
  410. MYLK4 2 items
  411. MYLK 2 items
  412. MTNR1B 2 items
  413. CXCR4 1 item
  414. DDX1 1 item
  415. EPHA1 1 item
  416. EZH2 1 item
  417. PTK2 1 item
  418. FABP1 1 item
  419. PKN1 1 item
  420. RAMP1 1 item
  421. REN 1 item
  422. PDE8A 1 item
  423. PDE9A 1 item
  424. F2R 1 item
  425. SLC46A1 1 item
  426. PDE8B 1 item
  427. PTGDR2 1 item
  428. TPO 1 item
  429. MPO 1 item
  430. PARP12 1 item
  431. PDE7B 1 item
  432. PDCD4 1 item
  433. RIPK1 1 item
  434. MMP7 1 item
  435. KLK3 1 item
  436. MPC2 1 item
  437. NR4A3 1 item
  438. MAP4K2 1 item
  439. MCL1 1 item
  440. ALOX5 1 item
  441. LTA4H 1 item
  442. LTK 1 item
  443. LPAR1 1 item
  444. ALOX15 1 item
  445. MAP4K4 1 item
  446. MAP2K7 1 item
  447. ABCC5 1 item
  448. NR1I2 1 item
  449. MPC1L 1 item
  450. CALCR 1 item
  451. CASR 1 item
  452. CA11 1 item
  453. CALCRL 1 item
  454. BMPR2 1 item
  455. BRDT 1 item
  456. BCL2 1 item
  457. BACE1 1 item
  458. BCL2L1 1 item
  459. ATP1A1 1 item
  460. ATP4A 1 item
  461. BCL2L2 1 item
  462. AURKB 1 item
  463. AURKC 1 item
  464. AVPR2 1 item
  465. TRPM8 1 item
  466. GC 1 item
  467. ACVR1 1 item
  468. CHRNA3 1 item
  469. CHRNA4 1 item
  470. CHRNE 1 item
  471. ABCB11 1 item
  472. ACKR3 1 item
  473. ALOX5AP 1 item
  474. AKR1B10 1 item
  475. AKR1C1 1 item
  476. ANO1 1 item
  477. AKR1B1 1 item
  478. AKR1A1 1 item
  479. TAS2R16 1 item
  480. TAS2R31 1 item
  481. TAS2R9 1 item
  482. TLR7 1 item
  483. CISD1 1 item
  484. ACTR3 1 item
  485. KCTD8 1 item
  486. GRM5 1 item
  487. GSK3A 1 item
  488. GCGR 1 item
  489. ABAT 1 item
  490. GLRB 1 item
  491. GABBR2 1 item
  492. GABBR1 1 item
  493. IDH1 1 item
  494. P2RY12 1 item
  495. P2RX4 1 item
  496. NTRK3 1 item
  497. PPIA 1 item
  498. TACR1 1 item
  499. NQO1 1 item
  500. CAMK2D 1 item
Action Type
  1. INHIBITOR 12 items
  2. ANTAGONIST 2 items
  3. ACTIVATOR 1 item
  4. AGONIST 1 item
  5. ALLOSTERIC MODULATOR 1 item
Purity
  1. ≥99% 5 items
  2. ≥98% 4 items
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