nicardipine


SMILES COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C
InChIKey ZBBHBTPTTSWHBA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 479.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 4.2 4.2 4.2 ChEMBL
A3 AA3R Human Adenosine A pKi 5.49 5.49 5.49 ChEMBL
A3 AA3R Human Adenosine A pKi 8.26 8.26 8.26 Drug Central
A3 AA3R Human Adenosine A pKi 5.5 5.5 5.5 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.33 8.33 8.33 Drug Central
A1 AA1R Rat Adenosine A pKi 4.71 4.71 4.71 ChEMBL
A3 AA3R Rat Adenosine A pKi 8.3 8.3 8.3 Drug Central
A3 AA3R Rat Adenosine A pKi 4.96 4.96 4.96 ChEMBL
A2A AA2AR Rat Adenosine A pKi 8.38 8.38 8.38 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.15 5.3 ChEMBL