CHEMBL409170
| SMILES | CCCc1nc(CN2CCN(c3ccccn3)CC2)c(C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CC2)cc1 |
| InChIKey | PVJDSGQIYOBYJP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 642.3 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 6.22 | 6.22 | 6.22 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |