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Name | CHEMBL1813121 |
---|---|
Molecular formula | C28H25ClN2O5 |
IUPAC name | 2-[1-[2-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-3-yl]acetic acid |
Molecular weight | 504.967 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.6 |
Synonyms | SCHEMBL5644959 BDBM50350351 |
Inchi Key | VVMZTWUJULFMLF-IBGZPJMESA-N |
Inchi ID | InChI=1S/C28H25ClN2O5/c1-17-22(14-27(32)33)20-7-3-4-8-24(20)31(17)28(34)21-12-11-18(13-23(21)29)35-16-19-15-30(2)25-9-5-6-10-26(25)36-19/h3-13,19H,14-16H2,1-2H3,(H,32,33)/t19-/m0/s1 |
PubChem CID | 10278907 |
ChEMBL | CHEMBL1813121 |
IUPHAR | N/A |
BindingDB | 50350351 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
365386 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
365389 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
365385 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
365390 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
365387 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
365388 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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