Antimalarial ligands

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  1. 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-...
  2. 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...
  3. 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)...
  4. 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: ML324|1222800-79-4|ML-324|N-(3-(Dimethylamino)propyl)-4-(8-hydroxyquinolin-6-yl)benzamide|N-[3-(dimethylamino)propyl]...
  5. FNDR-20123, Plasmodium falciparum histone deacetylase 1
    Cas#: 1267502-34-0        Compound CID:  50991199
    IUPAC Name: N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
    SMILES: ONC(=O)c1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)CN1CCCC1
    InChIKey: MTAWGBVDXCFYOF-UHFFFAOYSA-N
    InChI: 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)
  6. 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide, Plasmodium falciparum histone deacetylase 1
    IUPAC Name: 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
    SMILES: ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC1CCCCC1
    InChIKey: HZYLVYNCWLAIGF-UHFFFAOYSA-N
    InChI: 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)
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