Antimalarial ligands
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MMV-390048Cas#: 1314883-11-8 Compound CID: 53311393Formula: C18H14F3N3O2S Molecular Weight: 393.383IUPAC Name: 5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amineSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N)C3=CN=C(C=C3)C(F)(F)FInChIKey: RTJQABCNNLMCJF-UHFFFAOYSA-NInChI: 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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Chloroquine, Agonist of MRGPRX1;Agonist of TAS2R3Cas#: 54-05-7 Compound CID: 2719Formula: C18H26ClN3 Molecular Weight: 319.87IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamineSMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)ClInChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-NInChI: 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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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;InhibitorCas#: 404950-80-7 Compound CID: 6918837Formula: C21H23N3O2 Molecular Weight: 349.44IUPAC Name: (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamideSMILES: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NOInChIKey: FPOHNWQLNRZRFC-ZHACJKMWSA-NInChI: 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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Lumefantrine, Ferriprotoporphyrin IX inhibitorCas#: 82186-77-4 Compound CID: 6437380Formula: C30H32Cl3NO Molecular Weight: 528.94IUPAC Name: 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanolSMILES: CCCCN(CCCC)CC(C1=CC(=CC2=C1C3=C(C2=CC4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)OInChIKey: DYLGFOYVTXJFJP-MYYYXRDXSA-NInChI: InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-Synonyms: Lumefantrine|Benflumetol|82186-77-4|dl-Benflumelol|Lumefantrine, (+)-|Lumefantrine, (-)-|benflumelol|(Z)-2-(Dibutylam...
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Hydroxychloroquine, Antagonist of TLR7;Antagonist of TLR9Cas#: 118-42-3 Compound CID: 3652Formula: C18H26ClN3O Molecular Weight: 335.9IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanolSMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCOInChIKey: XXSMGPRMXLTPCZ-UHFFFAOYSA-NInChI: InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)Synonyms: Ethanol, 2-((4-((7-chloro-4-quinolyl)amino)pentyl)ethylamino)- | HY-W031727 | AB00053257_02 | NCGC00159483-06 | SPBio...
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GSK369796Cas#: 459133-38-1 Compound CID: 10316203IUPAC Name: 2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenolSMILES: Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)O)CNC(C)(C)CInChIKey: ZVMMVSSEAMUNGI-UHFFFAOYSA-NInChI: InChI=1S/C20H22ClN3O/c1-20(2,3)23-12-13-4-6-15(11-19(13)25)24-17-8-9-22-18-10-14(21)5-7-16(17)18/h4-11,23,25H,12H2,1-3H3,(H,22,24)Synonyms: N-tert-butyl isoquine|GSK369796|N-tert-butylisoquine|NTBISQ|GSK 369796|459133-38-1|ZINC1912685|BDBM50134936|CHEMBL147...
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UCT943IUPAC Name: [4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanoneSMILES: Nc1ncc(nc1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N1CCNCC1InChIKey: GGOFGCMPKAWHEZ-UHFFFAOYSA-NInChI: InChI=1S/C22H20F3N5O/c23-22(24,25)17-7-5-15(6-8-17)19-20(26)28-13-18(29-19)14-1-3-16(4-2-14)21(31)30-11-9-27-10-12-30/h1-8,13,27H,9-12H2,(H2,26,28)
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halofantrine, Channel blocker of K v11.1Cas#: 69756-53-2 Compound CID: 37393Formula: C26H30Cl2F3NO Molecular Weight: 500.44IUPAC Name: 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-olSMILES: CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)OInChIKey: FOHHNHSLJDZUGQ-UHFFFAOYSA-NInChI: InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3Synonyms: dl-WR 171669 | GTPL10019 | SMR001233418 | Prestwick3_001031 | 1,3-DICHLORO-.ALPHA.-(2-(DIBUTYLAMINO)ETHYL)-6-(TRIFLUO...
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mefloquine, Antagonist of A 1 receptor;Antagonist of A 2A receptorCas#: 53230-10-7 Compound CID: 40692IUPAC Name: (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanolSMILES: C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)OInChIKey: XEEQGYMUWCZPDN-DOMZBBRYSA-NInChI: InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1Synonyms: 4-Quinolinemethanol, alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-, (R*,S*)-(+-)- | (+)-erythro-4-Quinolinemethanol, ...
