Antimalarial ligands

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  1. 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...
  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. 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)
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