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Name | CHEMBL207104 |
---|---|
Molecular formula | C21H20ClNO4S |
IUPAC name | 2-[4-[(4-chlorophenyl)methyl]-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid |
Molecular weight | 417.904 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM50184233 2-(4-(4-chlorobenzyl)-7-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid |
Inchi Key | BCFNIKDKIBXOIX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H20ClNO4S/c1-28(26,27)16-7-9-19-18(11-16)17-8-4-14(10-20(24)25)21(17)23(19)12-13-2-5-15(22)6-3-13/h2-3,5-7,9,11,14H,4,8,10,12H2,1H3,(H,24,25) |
PubChem CID | 44411896 |
ChEMBL | CHEMBL207104 |
IUPHAR | N/A |
BindingDB | 50184233 |
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 |
---|---|---|---|---|---|
20131 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
20130 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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