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Name | CHEMBL1915865 |
---|---|
Molecular formula | C29H29ClN2O5 |
IUPAC name | 1-[4-chloro-3-[[2,6-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]cyclopropane-1-carboxylic acid |
Molecular weight | 521.01 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.5 |
Synonyms | BDBM50357620 SCHEMBL730925 |
Inchi Key | GUWAOSSGBYSTNR-NRFANRHFSA-N |
Inchi ID | InChI=1S/C29H29ClN2O5/c1-17-12-20(36-16-21-15-32(3)24-6-4-5-7-25(24)37-21)13-18(2)26(17)27(33)31-23-14-19(8-9-22(23)30)29(10-11-29)28(34)35/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(H,31,33)(H,34,35)/t21-/m0/s1 |
PubChem CID | 57394587 |
ChEMBL | CHEMBL1915865 |
IUPHAR | N/A |
BindingDB | 50357620 |
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 |
---|---|---|---|---|---|
106001 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
106000 | Prostaglandin D2 receptor | P70263 | Ptgdr | Mus musculus (Mouse) | 357 |
106002 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
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