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Name | CHEMBL1290298 |
---|---|
Molecular formula | C23H24FNO4S |
IUPAC name | 2-[(1R)-6-fluoro-8-methylsulfonyl-9-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid |
Molecular weight | 429.506 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | SCHEMBL989833 2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetic acid BDBM50331735 |
Inchi Key | AIULETPMIOZKLN-GOEBONIOSA-N |
Inchi ID | InChI=1S/C23H24FNO4S/c1-14(15-7-4-3-5-8-15)25-22-16(11-21(26)27)9-6-10-18(22)19-12-17(24)13-20(23(19)25)30(2,28)29/h3-5,7-8,12-14,16H,6,9-11H2,1-2H3,(H,26,27)/t14-,16+/m0/s1 |
PubChem CID | 52941281 |
ChEMBL | CHEMBL1290298 |
IUPHAR | N/A |
BindingDB | 50331735 |
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 |
---|---|---|---|---|---|
6531 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
6530 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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