vibegron
SMILES | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O |
InChIKey | DJXRIQMCROIRCZ-XOEOCAAJSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 444.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.7 | 8.85 | 9.0 | Guide to Pharmacology |
β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 7.07 | 7.07 | 7.07 | Guide to Pharmacology |
β3 | ADRB3 | Rhesus macaque | Adrenoceptors | A | pEC50 | 8.15 | 8.7 | 9.24 | ChEMBL |
β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 6.91 | 6.99 | 7.07 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.8 | 8.88 | 8.96 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.05 | 8.05 | 8.05 | Drug Central |
β3 | ADRB3 | Rhesus macaque | Adrenoceptors | A | pEC50 | 8.03 | 8.03 | 8.03 | Drug Central |
β3 | ADRB3 | Dog | Adrenoceptors | A | pEC50 | 8.1 | 8.1 | 8.1 | Drug Central |
β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 8.15 | 8.15 | 8.15 | Drug Central |
β3 | ADRB3 | Dog | Adrenoceptors | A | pEC50 | 7.96 | 7.96 | 7.96 | ChEMBL |