CHEMBL25121


SMILES CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C(=C(\O)OC)C(C)=N1
InChIKey KWEAVTKRDHFTIH-WIKZRCHHSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 622.3

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
α1B ADA1B Human Adrenoceptors A pKi 6.83 6.83 6.83 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.69 6.69 6.69 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.18 9.18 9.18 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database