CHEMBL356584
SMILES | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 |
InChIKey | YCUQRVLXIFFFNB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 583.3 |
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 | 6.58 | 6.59 | 6.6 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.46 | 6.47 | 6.47 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.89 | 9.58 | 9.7 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |