CHEMBL95290


SMILES CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1
InChIKey KCUCPEWBDAFYOT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 16
Molecular weight (Da) 694.4

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 6.11 6.11 6.11 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.59 5.59 5.59 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.33 6.33 6.33 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.35 8.35 8.35 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.77 5.77 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database