CHEMBL4577692
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O |
| InChIKey | OBBVCMGRQZZSDV-FMURTQEGSA-N |
Chemical properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 13 |
| Rotatable bonds | 26 |
| Molecular weight (Da) | 1081.3 |
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 |
| AT1 | AGTRA | Rat | Angiotensin | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pEC50 | 6.6 | 6.6 | 6.6 | ChEMBL |