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Name | CHEMBL210707 |
---|---|
Molecular formula | C22H22ClNO3S |
IUPAC name | 2-[(1R)-9-[(4-chlorophenyl)methyl]-8-[(S)-methylsulfinyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid |
Molecular weight | 415.932 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | SCHEMBL347602 2-((R)-9-(4-chlorobenzyl)-8-((S)-methylsulfinyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetic acid BDBM50184230 |
Inchi Key | BRVYETPRGCQZJA-JMGYQRAPSA-N |
Inchi ID | InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)/t15-,28+/m1/s1 |
PubChem CID | 16049493 |
ChEMBL | CHEMBL210707 |
IUPHAR | N/A |
BindingDB | 50184230 |
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 |
---|---|---|---|---|---|
31404 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
31403 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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