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Name | CHEMBL2391507 |
---|---|
Molecular formula | C21H17N3O3 |
IUPAC name | 3-[3-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]indol-1-yl]propanoic acid |
Molecular weight | 359.385 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | BDBM50435107 |
Inchi Key | ANWQQIHREGEPPS-NTCAYCPXSA-N |
Inchi ID | InChI=1S/C21H17N3O3/c22-13-15(21(27)23-17-6-2-1-3-7-17)12-16-14-24(11-10-20(25)26)19-9-5-4-8-18(16)19/h1-9,12,14H,10-11H2,(H,23,27)(H,25,26)/b15-12+ |
PubChem CID | 71552007 |
ChEMBL | CHEMBL2391507 |
IUPHAR | N/A |
BindingDB | 50435107 |
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 |
---|---|---|---|---|---|
9965 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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