CHEMBL357628


SMILES CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1
InChIKey PGWWSFHSBLBNGD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 550.3

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
μ OPRM Mouse Opioid A pKi 4.29 4.29 4.29 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.21 6.21 6.21 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database