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
Physiological/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