CHEMBL142243
SMILES | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1 |
InChIKey | HVNJSMJGJDSBBV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 570.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pKi | 4.0 | 4.0 | 4.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |