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Name | CHEMBL365908 |
---|---|
Molecular formula | C27H23NO6 |
IUPAC name | 2-[1-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid |
Molecular weight | 457.482 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | {1-[4-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethoxy)-benzoyl]-2-methyl-1H-indol-4-yl}-acetic acid BDBM50152518 SCHEMBL991211 |
Inchi Key | OCCPUDPMKJXBQC-NRFANRHFSA-N |
Inchi ID | InChI=1S/C27H23NO6/c1-17-13-22-19(14-26(29)30)5-4-6-23(22)28(17)27(31)18-9-11-20(12-10-18)32-15-21-16-33-24-7-2-3-8-25(24)34-21/h2-13,21H,14-16H2,1H3,(H,29,30)/t21-/m0/s1 |
PubChem CID | 44394432 |
ChEMBL | CHEMBL365908 |
IUPHAR | N/A |
BindingDB | 50152518 |
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 |
---|---|---|---|---|---|
237621 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
237624 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
237625 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
237626 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
237623 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
237622 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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