CHEMBL151825


SMILES COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OCCC#N)C2c2ccc([N+](=O)[O-])cc2)CC1
InChIKey CIMSZTVVTWKOJY-UUDCSCGESA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 629.3

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
α1A ADA1A Human Adrenoceptors A pKi 8.32 8.32 8.32 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.12 6.12 6.12 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.28 6.28 6.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database