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Name | CHEMBL3814185 |
---|---|
Molecular formula | C18H19NO2S |
IUPAC name | 4-[(4-tert-butylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid |
Molecular weight | 313.415 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | AKOS000800865 ZINC1350586 ASN 09857957 4-(4-tert-Butyl-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid AC1LT07U [ Show all ] |
Inchi Key | DXRXLWDGEYKPAF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H19NO2S/c1-18(2,3)13-6-4-12(5-7-13)11-19-14-8-9-22-16(14)10-15(19)17(20)21/h4-10H,11H2,1-3H3,(H,20,21) |
PubChem CID | 1448028 |
ChEMBL | CHEMBL3814185 |
IUPHAR | N/A |
BindingDB | 50178944 |
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 |
---|---|---|---|---|---|
523636 | C-C chemokine receptor type 9 | P51686 | CCR9 | Homo sapiens (Human) | 369 |
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