irbesartan
| SMILES | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 |
| InChIKey | YOSHYTLCDANDAN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 428.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT1 | AGTR1 | Human | Angiotensin | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| ETA | EDNRA | Human | Endothelin | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 8.7 | 8.75 | 8.8 | Guide to Pharmacology |