CHEMBL6198473
| SMILES | CCCCc1nc(Cl)c(C(=O)NCCOCCOCCNC(=O)CCCCCN2/C(=C/C=C/C3=[N+](C)c4ccccc4C3(C)C)C(C)(C)c3ccccc32)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
| InChIKey | GQGGGRKCLYWAJE-UHFFFAOYSA-O |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 25 |
| Molecular weight (Da) | 1005.5 |
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 |
| AT2 | AGTR2 | Human | Angiotensin | A | pKi | 5.25 | 5.38 | 5.52 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pKi | 7.97 | 7.98 | 8.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |