CHEMBL279436


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 593.3

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
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.22 6.22 6.22 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.35 6.43 6.48 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.22 6.43 6.65 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.38 6.47 6.56 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.49 6.64 6.78 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.68 8.55 9.0 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.43 6.65 6.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database