CHEMBL356829


SMILES COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1
InChIKey PAPWWRYYLPOWNO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 575.3

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 5.34 5.34 5.34 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.43 5.49 5.56 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.62 8.85 9.08 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.06 5.06 5.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database