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Name | CHEMBL3808880 |
---|---|
Molecular formula | C29H18Cl3N3O3 |
IUPAC name | 4,6-dichloro-3-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid |
Molecular weight | 562.831 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 7.6 |
Synonyms | BDBM50172349 |
Inchi Key | JMUFNCJAXSBRSD-IBYINHFXSA-N |
Inchi ID | InChI=1S/C29H18Cl3N3O3/c30-18-7-5-17-6-9-20(33-24(17)14-18)8-4-16-2-1-3-21(12-16)34-26(36)11-10-22-27-23(32)13-19(31)15-25(27)35-28(22)29(37)38/h1-15,35H,(H,34,36)(H,37,38)/b8-4+,11-10+ |
PubChem CID | 127043049 |
ChEMBL | CHEMBL3808880 |
IUPHAR | N/A |
BindingDB | 50172349 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
525935 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
525936 | Cysteinyl leukotriene receptor 2 | Q9NS75 | CYSLTR2 | Homo sapiens (Human) | 346 |
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