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 | pKd | 8.71 | 8.71 | 8.71 | Guide to Pharmacology |
AT1 | AGTRB | Rat | Angiotensin | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
ETA | EDNRA | Human | Endothelin | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pKi | 8.7 | 8.91 | 9.1 | ChEMBL |
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 |
AT1 | AGTRB | Rat | Angiotensin | A | pKi | 8.04 | 8.04 | 8.04 | 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 |
BLT2 | LT4R2 | Human | Leukotriene | A | pEC50 | 6.39 | 6.39 | 6.39 | ChEMBL |
AT1 | AGTRA | Rat | Angiotensin | A | pIC50 | 9.05 | 9.05 | 9.05 | ChEMBL |
AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 7.68 | 7.95 | 8.22 | ChEMBL |