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Name | CHEMBL3814037 |
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Molecular formula | C19H19ClN2O2 |
IUPAC name | 1-[(4-tert-butylphenyl)methyl]-5-chloropyrrolo[2,3-c]pyridine-2-carboxylic acid |
Molecular weight | 342.823 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | BDBM50178706 |
Inchi Key | ARCHGMQDESJEIQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H19ClN2O2/c1-19(2,3)14-6-4-12(5-7-14)11-22-15(18(23)24)8-13-9-17(20)21-10-16(13)22/h4-10H,11H2,1-3H3,(H,23,24) |
PubChem CID | 127053022 |
ChEMBL | CHEMBL3814037 |
IUPHAR | N/A |
BindingDB | 50178706 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
521815 | 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