CHEMBL98038


SMILES CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1
InChIKey RLFPVKPYWHWRJC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 15
Molecular weight (Da) 633.4

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 4.41 4.41 4.41 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.34 6.34 6.34 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 4.56 4.56 4.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database