CHEMBL347501


SMILES COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OCCO)C2c2ccc([N+](=O)[O-])cc2)CC1
InChIKey PBRNXCWKTJNIAH-CCFHIKDMSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 620.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.73 5.73 5.73 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.8 5.8 5.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.44 8.44 8.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database