You can:
Name | CHEMBL207805 |
---|---|
Molecular formula | C22H19ClN2O4S |
IUPAC name | 2-[4-[(4-chlorophenyl)methyl]-5-cyano-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid |
Molecular weight | 442.914 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.2 |
Synonyms | 2-(4-(4-chlorobenzyl)-5-cyano-7-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid BDBM50184247 |
Inchi Key | AZOCOBMVJZZNML-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H19ClN2O4S/c1-30(28,29)17-8-15(11-24)22-19(10-17)18-7-4-14(9-20(26)27)21(18)25(22)12-13-2-5-16(23)6-3-13/h2-3,5-6,8,10,14H,4,7,9,12H2,1H3,(H,26,27) |
PubChem CID | 44411606 |
ChEMBL | CHEMBL207805 |
IUPHAR | N/A |
BindingDB | 50184247 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
18361 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
18360 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417