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Antimalarial ligands

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    MMV-390048
    Cas#: 1314883-11-8        Compound CID:  53311393
    Formula:  C18H14F3N3O2S        Molecular Weight: 393.383
    IUPAC Name: 5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine
    SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N)C3=CN=C(C=C3)C(F)(F)F
    InChIKey: RTJQABCNNLMCJF-UHFFFAOYSA-N
    InChI: InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
    Synonyms: 0Z5T00JJ10 | AKOS030628490 | SCHEMBL2225969 | 3-(2-(Trifluoromethyl)pyridin-5-yl)-5-(4-(methylsulfonyl)- phenyl)pyrid...
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  2. , P-type ATPase inhibitor
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    NITD-609, P-type ATPase inhibitor
    Cas#: 1193314-23-6        Compound CID:  44469321
    Formula:  C19H14Cl2FN3O        Molecular Weight: 390.24
    IUPAC Name: (3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
    SMILES: CC1CC2=C(C3(N1)C4=C(C=CC(=C4)Cl)NC3=O)NC5=CC(=C(C=C25)F)Cl
    InChIKey: CKLPLPZSUQEDRT-WPCRTTGESA-N
    InChI: InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
    Synonyms: Cipargamin | NITD609 | KAE609
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  3. , Inhibitor of CREB binding protein;Inhibitor of E1A binding protein p300
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    SGC-CBP30, Inhibitor of CREB binding protein;Inhibitor of E1A binding protein p300
    Cas#: 1613695-14-9        Compound CID:  72201027
    Formula:  C28H33ClN4O3        Molecular Weight: 509.04
    IUPAC Name: 4-[(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]morpholine
    SMILES: CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC(=C(C=C4)OC)Cl)CC(C)N5CCOCC5
    InChIKey: GEPYBHCJBORHCE-SFHVURJKSA-N
    InChI: InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
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  4. , Serine/threonine-protein kinase mTOR inhibitor
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    INK 128 (MLN0128), Serine/threonine-protein kinase mTOR inhibitor
    Cas#: 1224844-38-5        Compound CID:  45375953
    Formula:  C15H15N7O        Molecular Weight: 309.33
    IUPAC Name: 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
    SMILES: CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC(=N4)N)N
    InChIKey: GYLDXIAOMVERTK-UHFFFAOYSA-N
    InChI: InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
    Synonyms: 2-Benzoxazolamine, 5-(4-amino-1-(1-methylethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)- | 3-(2-aminobenzo[d]oxazol-5-yl)-1...
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  5. , Inhibitor of adenylyl cyclase 10
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    KH 7, Inhibitor of adenylyl cyclase 10
    Cas#: 330676-02-3        Compound CID:  135496218
    Formula:  C17H15BrN4O2S        Molecular Weight: 419.3
    IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]propanamide
    SMILES: CC(C(=O)NN=CC1=C(C=CC(=C1)Br)O)SC2=NC3=CC=CC=C3N2
    InChIKey: WILMXUAKQKGGCC-DJKKODMXSA-N
    InChI: InChI=1S/C17H15BrN4O2S/c1-10(25-17-20-13-4-2-3-5-14(13)21-17)16(24)22-19-9-11-8-12(18)6-7-15(11)23/h2-10,23H,1H3,(H,20,21)(H,22,24)/b19-9+
    Synonyms: 1613631-72-3 | ( inverted exclamation markA)-2-(1H-benziMidazol-2-ylthio)propanoicacid2-[(5-broMo-2-hydroxyphenyl)Met...
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    Quinine
    Cas#: 130-95-0        Compound CID:  3034034
    Formula:  C20H24N2O2        Molecular Weight: 324.42
    IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
    SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
    InChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-N
    InChI: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
    Synonyms: (9R)-6'-methoxy-8alpha-cinchonan-9-ol | Quinoline alkaloid | Quinsan | (R)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2....
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  7. , Agonist of TAS2R14;Agonist of TAS2R40;Channel blocker of K 2P18.1;Channel blocker of K v2.2;Inhibitor of Plasma membrane monoamine transporter
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    Quinine, Agonist of TAS2R14;Agonist of TAS2R40;Channel blocker of K 2P18.1;Channel blocker of K v2.2;Inhibitor of Plasma membrane monoamine transporter
    Cas#: 130-95-0        Compound CID:  3034034
    Formula:  C20H24N2O2        Molecular Weight: 324.42
    IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
    SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
    InChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-N
    InChI: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
    Synonyms: (9R)-6'-methoxy-8alpha-cinchonan-9-ol | Quinoline alkaloid | Quinsan | (R)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2....
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    Primaquine
    Cas#: 90-34-6        Compound CID:  4908
    Formula:  C15H21N3O        Molecular Weight: 259.4
    IUPAC Name: 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
    SMILES: CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2
    InChIKey: INDBQLZJXZLFIT-UHFFFAOYSA-N
    InChI: InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
    Synonyms: BPBio1_000674 | SN 13,272 | (-)-N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine | Kanaprim | N-(5-aminopentan-2-yl)-6-...
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  9. , Agonist of MRGPRX1;Agonist of TAS2R3
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    Chloroquine, Agonist of MRGPRX1;Agonist of TAS2R3
    Cas#: 54-05-7        Compound CID:  2719
    Formula:  C18H26ClN3        Molecular Weight: 319.87
    IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
    SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
    InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N
    InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
    Synonyms: chloroquine | Chloraquine | Quinachlor | Bemaco | Bemasulph | Reumachlor | Cidanchin | Arthrochin | Chlorochin | Capq...
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  10. , Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 2;Inhibitor of histone deacetylase 3;Inhibitor of histone deacetylase 4;Inhibitor of histone deacetylase 6;Inhibitor of histone deacetylase 7;Inhibitor of histone deacetylase 8;Inhibitor
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    Panobinostat (LBH589), Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 2;Inhibitor of histone deacetylase 3;Inhibitor of histone deacetylase 4;Inhibitor of histone deacetylase 6;Inhibitor of histone deacetylase 7;Inhibitor of histone deacetylase 8;Inhibitor
    Cas#: 404950-80-7        Compound CID:  6918837
    Formula:  C21H23N3O2        Molecular Weight: 349.44
    IUPAC Name: (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
    SMILES: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO
    InChIKey: FPOHNWQLNRZRFC-ZHACJKMWSA-N
    InChI: InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
    Synonyms: BCP01816 | Panobinostat(LBH589) | AM808102 | GTPL7489 | NSC 108217 | AKOS005146046 | N-Hydroxy-3-[4-[2-(2-methyl-1H-i...
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  11. , Inhibitor of lysine demethylase 4A;Inhibitor of lysine demethylase 4E
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    ML324, Inhibitor of lysine demethylase 4A;Inhibitor of lysine demethylase 4E
    Cas#: 1222800-79-4        Compound CID:  44143209
    Formula:  C21H23N3O2        Molecular Weight: 349.43
    IUPAC Name: N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
    SMILES: CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)O
    InChIKey: QDBVSOZTVKXUES-UHFFFAOYSA-N
    InChI: InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)
    Synonyms: NCGC00183808-17 | MMV1580488 | N-[3-(dimethylamino)propyl]-4-(8-oxidanylquinolin-6-yl)benzamide;2,2,2-tris(fluoranyl)...
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    Dihydroartemisinin
    Cas#: 71939-50-9        Compound CID:  3000518
    Formula:  C15H24O5        Molecular Weight: 284.35
    IUPAC Name: (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
    SMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C
    InChIKey: BJDCWCLMFKKGEE-ISOSDAIHSA-N
    InChI: InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1
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Target
  1. KCNH2 8 items
  2. HDAC1 6 items
  3. CYP2D6 5 items
  4. DHODH 4 items
  5. SLC29A4 4 items
  6. KCNB2 4 items
  7. CYP3A4 3 items
  8. BRD4 3 items
  9. HDAC6 3 items
  10. CYP1A2 2 items
  11. EP300 2 items
  12. DHFR 2 items
  13. CSTB 2 items
  14. CREBBP 2 items
  15. HDAC2 2 items
  16. TAS2R40 2 items
  17. TMEM97 2 items
  18. SIGMAR1 2 items
  19. MPO 2 items
  20. TAS2R14 2 items
  21. HDAC3 2 items
  22. KDM4A 2 items
  23. KDM4E 2 items
  24. CYP1B1 1 item
  25. CYP2J2 1 item
  26. DPP4 1 item
  27. EEF2 1 item
  28. CPSF3 1 item
  29. PSMB5 1 item
  30. PRNP 1 item
  31. HDAC4 1 item
  32. HDAC7 1 item
  33. HDAC11 1 item
  34. HDAC9 1 item
  35. MET 1 item
  36. KAT2B 1 item
  37. SLC47A2 1 item
  38. SLC47A1 1 item
  39. SLC6A4 1 item
  40. TAS2R39 1 item
  41. TAS2R4 1 item
  42. IARS 1 item
  43. TEK 1 item
  44. TLR9 1 item
  45. TTR 1 item
  46. PIK3CG 1 item
  47. PIK3CA 1 item
  48. PIK3CD 1 item
  49. PI4KB 1 item
  50. MMP7 1 item
  51. MMP12 1 item
  52. MRGPRX1 1 item
  53. CA4 1 item
  54. CA12 1 item
  55. BRAF 1 item
  56. CA7 1 item
  57. CYP1A1 1 item
  58. XDH 1 item
  59. KDR 1 item
  60. ADORA2A 1 item
  61. ADCY10 1 item
  62. AKR1B1 1 item
  63. ADORA1 1 item
  64. TAS2R3 1 item
  65. TLR7 1 item
  66. SUB1 1 item
  67. CLK3 1 item
  68. HDAC10 1 item
  69. HDAC8 1 item
  70. HDAC5 1 item
  71. KCNK18 1 item
  72. SHMT2 1 item
  73. NMT1 1 item
  74. NTRK2 1 item
  75. NTRK1 1 item
  76. NTRK3 1 item
  77. NOX4 1 item
  78. MMP8 1 item
  79. MLNR 1 item
  80. NCR1 1 item
  81. PNP 1 item
  82. NMT2 1 item
  83. MTOR 1 item
Grade
  1. Moligand™ 130 items
  2. analytical standard 6 items
  3. for fluorescence analysis 1 item
  4. for synthesis 1 item
Price
  1. $0.00 - $500.00 85 items
  2. $500.00 - $1,000.00 34 items
  3. $1,000.00 - $1,500.00 54 items
  4. $1,500.00 - $2,000.00 1 item
  5. $2,000.00 - $2,500.00 2 items
  6. $5,500.00 - $6,000.00 1 item
Action Type
  1. INHIBITOR 24 items
  2. AGONIST 6 items
  3. CHANNEL BLOCKER 3 items
  4. ANTAGONIST 2 items
Molecule Type
  1. Small molecule 98 items
  2. Unknown 11 items
Physical Form
  1. Solid 3 items
Purity
  1. ≥98% 29 items
  2. ≥99% 20 items
  3. ≥97% 10 items
  4. ≥96% 3 items
  5. ≥95% 2 items
  6. ≥98%(HPLC) 1 item
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