Antimalarial ligands
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QuinineCas#: 130-95-0 Compound CID: 3034034Formula: C20H24N2O2 Molecular Weight: 324.42IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OInChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-NInChI: 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/s1Synonyms: (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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Quinine, Agonist of TAS2R14;Agonist of TAS2R40;Channel blocker of K 2P18.1;Channel blocker of K v2.2;Inhibitor of Plasma membrane monoamine transporterCas#: 130-95-0 Compound CID: 3034034Formula: C20H24N2O2 Molecular Weight: 324.42IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OInChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-NInChI: 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/s1Synonyms: (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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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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ML324, Inhibitor of lysine demethylase 4A;Inhibitor of lysine demethylase 4ECas#: 1222800-79-4 Compound CID: 44143209Formula: C21H23N3O2 Molecular Weight: 349.43IUPAC Name: N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamideSMILES: CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)OInChIKey: QDBVSOZTVKXUES-UHFFFAOYSA-NInChI: 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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ML324, Inhibitor of lysine demethylase 4A;Inhibitor of lysine demethylase 4ECas#: 1222800-79-4 Compound CID: 44143209Formula: C21H23N3O2 Molecular Weight: 349.43IUPAC Name: N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamideSMILES: CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)OInChIKey: QDBVSOZTVKXUES-UHFFFAOYSA-NInChI: 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: ML324|1222800-79-4|ML-324|N-(3-(Dimethylamino)propyl)-4-(8-hydroxyquinolin-6-yl)benzamide|N-[3-(dimethylamino)propyl]...
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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 transporterCas#: 130-95-0 Compound CID: 3034034Formula: C20H24N2O2 Molecular Weight: 324.42IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OInChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-NInChI: 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/s1Synonyms: Quinine|130-95-0|Chinin|Chinine|(-)-Quinine|6'-Methoxycinchonidine|(8S,9R)-Quinine|Qualaquin|Quinine anhydrous|(R)-(-...
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(-)-QuinineCas#: 130-95-0 Compound CID: 3034034Formula: C20H24N2O2 Molecular Weight: 324.42IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OInChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-NInChI: 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/s1Synonyms: (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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FNDR-20123, Plasmodium falciparum histone deacetylase 1Cas#: 1267502-34-0 Compound CID: 50991199IUPAC Name: N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamideSMILES: ONC(=O)c1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)CN1CCCC1InChIKey: MTAWGBVDXCFYOF-UHFFFAOYSA-NInChI: InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)
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4-[[[2-(cyclohexylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide, Plasmodium falciparum histone deacetylase 1IUPAC Name: 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamideSMILES: ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC1CCCCC1InChIKey: HZYLVYNCWLAIGF-UHFFFAOYSA-NInChI: InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)
