JNJ-38431055
SMILES | COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C |
InChIKey | WPDCHTSXOPUOII-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 479.2 |
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 | pIC50 | 4.72 | 4.72 | 4.72 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.12 | 7.12 | 7.12 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 4.8 | 4.8 | 4.8 | ChEMBL |