Approved Ligands-Aladdin Scientific

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Nintedanib (BIBF 1120), Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fibroblast growth factor receptor 2;Inhibitor of fibroblast growth factor receptor 3;Inhibitor of fibroblast growth factor receptor 4;Inhibitor of fms related receptor tyrosine kinase 1;Inhibit
- ≥98%
Cas#: 656247-17-5 Compound CID: 135423438

Formula: C₃₁H₃₃N₅O₄ Molecular Weight: 539.62

IUPAC Name: methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O

InChIKey: CPMDPSXJELVGJG-UHFFFAOYSA-N

InChI: InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3

Synonyms: BIBF 1120 | BIBF-1120 | Methyl (Z)-3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylen...
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Ponatinib (AP24534), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8;Inhibitor of receptor interacting serine/threonine kinase 1;Inhibitor of receptor interacting serine/threonine k
- ≥99%
Cas#: 943319-70-8 Compound CID: 24826799

Formula: C₂₉H₂₇F₃N₆O Molecular Weight: 532.57

IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

InChI: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)

Synonyms: 4340891KFS | BDBM50322535 | Dithioglycerol (VAN) | 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-{4-[(4-meth...
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BGJ398 (NVP-BGJ398), Fibroblast growth factor receptor inhibitor
- ≥98%
Cas#: 872511-34-7 Compound CID: 53235510

Formula: C₂₆H₃₁Cl₂N₇O₃ Molecular Weight: 560.48

IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea

SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl

InChIKey: QADPYRIHXKWUSV-UHFFFAOYSA-N

InChI: InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)

Synonyms: BGJ398 (NVP-BGJ398) | 872511-34-7 (free base) | AKOS000295891 | WHO 10032 | 3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-[6...
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Terfenadine, Inhibitor of CYP2J2;Antagonist of H 1 receptor;Channel blocker of K v10.1;Channel blocker of K v11.1
- ≥98%
Cas#: 50679-08-8 Compound CID: 5405

Formula: C₃₂H₄₁NO₂ Molecular Weight: 471.67

IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol

SMILES: CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

InChIKey: GUGOEEXESWIERI-UHFFFAOYSA-N

InChI: InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3

Synonyms: HMS3263D08 | HSDB 6508 | SCHEMBL5152 | SDCCGSBI-0051180.P004 | 1-(4-tert-Butylphenyl)-4-(4-(alpha-hydroxybenzhydryl)p...
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Amitriptyline, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor;Antagonist of H 1 receptor;Channel blocker of K ir3.2;Channel blocker of K ir3.4;Antagonist of LPA 1 receptor;Antagonist of M 1 recep
- ≥98%
Cas#: 50-48-6 Compound CID: 2160

Formula: C₂₀H₂₃N Molecular Weight: 277.41

IUPAC Name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31

InChIKey: KRMDCWKBEZIMAB-UHFFFAOYSA-N

InChI: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3

Synonyms: Redomex | Triptisol | Damilen | Lantron | Amitriptilina | amitriptyline | Amitryptiline | Triptanol | Elavil | Serote...
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Duloxetine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 6 receptor;Inhibitor of NET;Inhibitor of SERT
- ≥99%
Cas#: 116539-59-4 Compound CID: 60835

Formula: C₁₈H₁₉NOS Molecular Weight: 297.42

IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

SMILES: CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32

InChIKey: ZEUITGRIYCTCEM-KRWDZBQOSA-N

InChI: InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1

Synonyms: (+)-(S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamin | (3s)-n-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propa...
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Propafenone, Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor;Channel blocker of K v1.5
- 10mM in DMSO
Cas#: 54063-53-5 Compound CID: 4932

Formula: C₂₁H₂₇NO₃ Molecular Weight: 341.44

IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one

SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

InChIKey: JWHAUXFOSRPERK-UHFFFAOYSA-N

InChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3

Synonyms: propafenone|54063-53-5|Rythmol|Propafenona|Propafenonum|Propafenonum [INN-Latin]|Propafenona [INN-Spanish]|Propafenon...
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Propafenone, Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor;Channel blocker of K v1.5
- ≥98%
Cas#: 54063-53-5 Compound CID: 4932

Formula: C₂₁H₂₇NO₃ Molecular Weight: 341.44

IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one

SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

InChIKey: JWHAUXFOSRPERK-UHFFFAOYSA-N

InChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3

Synonyms: AB00053687-14 | CHEBI:63619 | PROPAFENONE [WHO-DD] | A829936 | KBio2_002092 | NCGC00015819-10 | KBioGR_000817 | FT-06...
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Solifenacin (YM905), Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptor
- 10mM in DMSO
Cas#: 242478-37-1 Compound CID: 154059

Formula: C₂₃H₂₆N₂O₂ Molecular Weight: 362.48

IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

SMILES: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5

InChIKey: FBOUYBDGKBSUES-VXKWHMMOSA-N

InChI: InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1

Synonyms: Solifenacin|242478-37-1|Soliten|(+)-Solifenacin|UNII-A8910SQJ1U|Solifenacin (INN)|A8910SQJ1U|YM-905|NSC-759144|[(3R)-...
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Solifenacin (YM905), Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptor
- ≥98%
Cas#: 242478-37-1 Compound CID: 154059

Formula: C₂₃H₂₆N₂O₂ Molecular Weight: 362.48

IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

SMILES: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5

InChIKey: FBOUYBDGKBSUES-VXKWHMMOSA-N

InChI: InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1

Synonyms: solifenacine | A16947 | Solifenacin (INN) | SCHEMBL9971260 | Solifenacina | (3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1...
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