CHEMBL41844


SMILES COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)C2c2ccc([N+](=O)[O-])cc2)CC1
InChIKey DZEZXWSJRQPUTM-KDJFERLWSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 590.3

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
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.94 5.94 5.94 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.16 6.16 6.16 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.44 8.45 8.45 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.96 5.96 5.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database