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Name | CHEMBL1915676 |
---|---|
Molecular formula | C27H27ClN2O5 |
IUPAC name | 2-[4-chloro-3-[[2,3-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid |
Molecular weight | 494.972 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.2 |
Synonyms | BDBM50357627 SCHEMBL732523 |
Inchi Key | ATEWBGFTNCNDLW-IBGZPJMESA-N |
Inchi ID | InChI=1S/C27H27ClN2O5/c1-16-17(2)24(34-15-19-14-30(3)23-6-4-5-7-25(23)35-19)11-9-20(16)27(33)29-22-12-18(13-26(31)32)8-10-21(22)28/h4-12,19H,13-15H2,1-3H3,(H,29,33)(H,31,32)/t19-/m0/s1 |
PubChem CID | 11352417 |
ChEMBL | CHEMBL1915676 |
IUPHAR | N/A |
BindingDB | 50357627 |
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 |
---|---|---|---|---|---|
13889 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
13888 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
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