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Name | CHEMBL1819623 |
---|---|
Molecular formula | C25H22ClFN2O5 |
IUPAC name | 2-[3-[[2-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-4-fluorophenyl]acetic acid |
Molecular weight | 484.908 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50351484 SCHEMBL2189227 |
Inchi Key | NYJIUFYVDCEUIV-KRWDZBQOSA-N |
Inchi ID | InChI=1S/C25H22ClFN2O5/c1-29-13-17(34-23-5-3-2-4-22(23)29)14-33-16-7-8-18(19(26)12-16)25(32)28-21-10-15(11-24(30)31)6-9-20(21)27/h2-10,12,17H,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-/m0/s1 |
PubChem CID | 56672020 |
ChEMBL | CHEMBL1819623 |
IUPHAR | N/A |
BindingDB | 50351484 |
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 |
---|---|---|---|---|---|
235043 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
235041 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
235044 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
235040 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
235037 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
235038 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
235042 | Prostaglandin F2-alpha receptor | P43117 | Ptgfr | Mus musculus (Mouse) | 366 |
235039 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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