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Name | CHEMBL1915862 |
---|---|
Molecular formula | C29H31ClN2O5 |
IUPAC name | 2-[4-chloro-3-[[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]-2-methylpropanoic acid |
Molecular weight | 523.026 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 6.1 |
Synonyms | BDBM50357634 LOZKTERWUJKZQM-FQEVSTJZSA-N 2-(4-chloro-3-((2,5-dimethyl-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methoxy)benzoyl)amino)phenyl)-2-methylpropanoic acid SCHEMBL730959 |
Inchi Key | LOZKTERWUJKZQM-FQEVSTJZSA-N |
Inchi ID | InChI=1S/C29H31ClN2O5/c1-17-13-26(36-16-20-15-32(5)24-8-6-7-9-25(24)37-20)18(2)12-21(17)27(33)31-23-14-19(10-11-22(23)30)29(3,4)28(34)35/h6-14,20H,15-16H2,1-5H3,(H,31,33)(H,34,35)/t20-/m0/s1 |
PubChem CID | 57403305 |
ChEMBL | CHEMBL1915862 |
IUPHAR | N/A |
BindingDB | 50357634 |
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 |
---|---|---|---|---|---|
192840 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
192841 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
192842 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
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