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Name | CHEMBL185251 |
---|---|
Molecular formula | C28H25FN2O5 |
IUPAC name | 2-[1-[4-[[(2S)-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid |
Molecular weight | 488.515 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | {1-[4-(7-Fluoro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-2-ylmethoxy)-benzoyl]-2-methyl-1H-indol-4-yl}-acetic acid BDBM50152512 SCHEMBL991800 |
Inchi Key | OOSKJUCSXNQQLG-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C28H25FN2O5/c1-17-12-23-19(13-27(32)33)4-3-5-24(23)31(17)28(34)18-6-9-21(10-7-18)35-16-22-15-30(2)25-11-8-20(29)14-26(25)36-22/h3-12,14,22H,13,15-16H2,1-2H3,(H,32,33)/t22-/m0/s1 |
PubChem CID | 10206535 |
ChEMBL | CHEMBL185251 |
IUPHAR | N/A |
BindingDB | 50152512 |
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 |
---|---|---|---|---|---|
246587 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
246590 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
246588 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
246585 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
246586 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
246589 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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