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Name | CHEMBL179036 |
---|---|
Molecular formula | C21H21FN2O4S |
IUPAC name | 2-[(3R)-3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid |
Molecular weight | 416.467 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | SCHEMBL16558828 {3-[((R)-4-Fluoro-benzenesulfonyl)-methyl-amino]-1,2,3,4-tetrahydro-carbazol-9-yl}-acetic acid ZINC13608926 BDBM50161745 FT4 [ Show all ] |
Inchi Key | CANCTKXGRVNXFP-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1 |
PubChem CID | 25817650 |
ChEMBL | CHEMBL179036 |
IUPHAR | N/A |
BindingDB | 50161745 |
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 |
---|---|---|---|---|---|
37324 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
37322 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
37323 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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