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Name | CHEMBL3814598 |
---|---|
Molecular formula | C19H19ClN2O2 |
IUPAC name | 1-[(6-tert-butylpyridin-3-yl)methyl]-7-chloroindole-2-carboxylic acid |
Molecular weight | 342.823 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.7 |
Synonyms | BDBM50178718 |
Inchi Key | CNMCGHJNYYCEPN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H19ClN2O2/c1-19(2,3)16-8-7-12(10-21-16)11-22-15(18(23)24)9-13-5-4-6-14(20)17(13)22/h4-10H,11H2,1-3H3,(H,23,24) |
PubChem CID | 127049674 |
ChEMBL | CHEMBL3814598 |
IUPHAR | N/A |
BindingDB | 50178718 |
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 |
---|---|---|---|---|---|
522858 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
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