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Name | CHEMBL1813120 |
---|---|
Molecular formula | C29H28N2O5 |
IUPAC name | 2-[2-methyl-1-[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid |
Molecular weight | 484.552 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.4 |
Synonyms | BDBM50350350 SCHEMBL5644479 |
Inchi Key | CLCVZIUBJHRUGU-NRFANRHFSA-N |
Inchi ID | InChI=1S/C29H28N2O5/c1-18-14-20(35-17-21-16-30(3)26-10-6-7-11-27(26)36-21)12-13-22(18)29(34)31-19(2)24(15-28(32)33)23-8-4-5-9-25(23)31/h4-14,21H,15-17H2,1-3H3,(H,32,33)/t21-/m0/s1 |
PubChem CID | 10299717 |
ChEMBL | CHEMBL1813120 |
IUPHAR | N/A |
BindingDB | 50350350 |
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 |
---|---|---|---|---|---|
44624 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
44623 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
44628 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
44627 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
44625 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
44621 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
44622 | Prostaglandin F2-alpha receptor | P43117 | Ptgfr | Mus musculus (Mouse) | 366 |
44626 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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