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Name | CHEMBL3093599 |
---|---|
Molecular formula | C31H22N2O4 |
IUPAC name | 2-[1-[4-[(4-phenylbenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid |
Molecular weight | 486.527 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 5.7 |
Synonyms | BDBM50444237 |
Inchi Key | AHQUTLSTXAUDDC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H22N2O4/c34-28(35)18-24-19-32-29(27-9-5-4-8-26(24)27)30(36)22-14-16-25(17-15-22)33-31(37)23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-17,19H,18H2,(H,33,37)(H,34,35) |
PubChem CID | 72737018 |
ChEMBL | CHEMBL3093599 |
IUPHAR | N/A |
BindingDB | 50444237 |
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 |
---|---|---|---|---|---|
5808 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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