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 |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
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 |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.7 | 8.7 | 8.7 | ChEMBL |