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Name | CHEMBL1813124 |
---|---|
Molecular formula | C28H25ClN2O5 |
IUPAC name | 2-[1-[3-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 | SCHEMBL5644559 BDBM50350373 |
Inchi Key | SNSGVPMIGUZIHF-IBGZPJMESA-N |
Inchi ID | InChI=1S/C28H25ClN2O5/c1-17-21(14-27(32)33)20-7-3-4-8-23(20)31(17)28(34)18-11-12-25(22(29)13-18)35-16-19-15-30(2)24-9-5-6-10-26(24)36-19/h3-13,19H,14-16H2,1-2H3,(H,32,33)/t19-/m0/s1 |
PubChem CID | 56675229 |
ChEMBL | CHEMBL1813124 |
IUPHAR | N/A |
BindingDB | 50350373 |
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 |
---|---|---|---|---|---|
318805 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
318804 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
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