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Name | CHEMBL1084047 |
---|---|
Molecular formula | C26H23ClN2O3 |
IUPAC name | 4-[(1S)-1-[[1-[(3-chlorophenyl)methyl]-2-methylindole-7-carbonyl]amino]ethyl]benzoic acid |
Molecular weight | 446.931 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 5.3 |
Synonyms | SCHEMBL1749325 (S)-4-(1-(1-(3-chlorobenzyl)-2-methyl-1H-indole-7-carboxamido)ethyl)benzoic acid BDBM50319846 |
Inchi Key | BQDKQRRXORHZRW-KRWDZBQOSA-N |
Inchi ID | InChI=1S/C26H23ClN2O3/c1-16-13-21-6-4-8-23(24(21)29(16)15-18-5-3-7-22(27)14-18)25(30)28-17(2)19-9-11-20(12-10-19)26(31)32/h3-14,17H,15H2,1-2H3,(H,28,30)(H,31,32)/t17-/m0/s1 |
PubChem CID | 24765769 |
ChEMBL | CHEMBL1084047 |
IUPHAR | N/A |
BindingDB | 50319846 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
30174 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
30173 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
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