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Name | CHEMBL257038 |
---|---|
Molecular formula | C31H27Cl2N5O2 |
IUPAC name | 2-[4-chloro-2-imino-3-[[(3S)-1-(quinoline-8-carbonyl)piperidin-3-yl]methyl]benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone |
Molecular weight | 572.49 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.9 |
Synonyms | BDBM50375121 |
Inchi Key | OZJXORUZENVKIP-HXUWFJFHSA-N |
Inchi ID | InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1 |
PubChem CID | 44453558 |
ChEMBL | CHEMBL257038 |
IUPHAR | N/A |
BindingDB | 50375121 |
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 |
---|---|---|---|---|---|
254014 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
254015 | C-X-C chemokine receptor type 3 | O88410 | Cxcr3 | Mus musculus (Mouse) | 367 |
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