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Name | CHEMBL3814577 |
---|---|
Molecular formula | C22H19ClN2O3 |
IUPAC name | 6-chloro-1-[[4-[2-(1,3-oxazol-2-yl)propan-2-yl]phenyl]methyl]indole-2-carboxylic acid |
Molecular weight | 394.855 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.3 |
Synonyms | BDBM50178943 |
Inchi Key | BZGPDKQUBJLQOZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H19ClN2O3/c1-22(2,21-24-9-10-28-21)16-6-3-14(4-7-16)13-25-18-12-17(23)8-5-15(18)11-19(25)20(26)27/h3-12H,13H2,1-2H3,(H,26,27) |
PubChem CID | 127053024 |
ChEMBL | CHEMBL3814577 |
IUPHAR | N/A |
BindingDB | 50178943 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
522623 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218