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Name | CHEMBL1813115 |
---|---|
Molecular formula | C28H26N2O5 |
IUPAC name | 2-[2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid |
Molecular weight | 470.525 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | BDBM50350349 SCHEMBL5649507 |
Inchi Key | FAFWNGSTCOBJKT-NRFANRHFSA-N |
Inchi ID | InChI=1S/C28H26N2O5/c1-18-23(15-27(31)32)22-7-3-4-8-24(22)30(18)28(33)19-11-13-20(14-12-19)34-17-21-16-29(2)25-9-5-6-10-26(25)35-21/h3-14,21H,15-17H2,1-2H3,(H,31,32)/t21-/m0/s1 |
PubChem CID | 10116116 |
ChEMBL | CHEMBL1813115 |
IUPHAR | N/A |
BindingDB | 50350349 |
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 |
---|---|---|---|---|---|
73361 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
73355 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
73356 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
73357 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
73358 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
73360 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
73359 | Prostaglandin F2-alpha receptor | P43117 | Ptgfr | Mus musculus (Mouse) | 366 |
73362 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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