CL-329167
SMILES | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
InChIKey | XZCUIMYYMKTCBA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 508.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT1 | AGTR1 | Human | Angiotensin | A | pKd | 10.9 | 10.9 | 10.9 | ChEMBL |
AT1 | AGTR1 | Rabbit | Angiotensin | A | pKd | 8.01 | 8.01 | 8.01 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT1 | AGTR1 | Bovine | Angiotensin | A | pIC50 | 7.51 | 7.51 | 7.51 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 8.22 | 8.22 | 8.22 | ChEMBL |