PD123319
SMILES | OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(c1)C)N(C)C |
InChIKey | YSTVFDAKLDMYCR-NDEPHWFRSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 508.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT2 | AGTR2 | Human | Angiotensin | A | pKd | 8.7 | 8.95 | 9.2 | Guide to Pharmacology |
AT1 | AGTR1 | Human | Angiotensin | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 7.47 | 7.97 | 8.16 | ChEMBL |
AT2 | AGTR2 | Rat | Angiotensin | A | pIC50 | 7.47 | 7.47 | 7.47 | ChEMBL |