NIMODIPINE


SMILES COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
InChIKey UIAGMCDKSXEBJQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 418.2

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
A2A AA2AR Rat Adenosine A pKi 4.35 4.35 4.35 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.7 4.7 4.7 ChEMBL
A3 AA3R Human Adenosine A pKi 5.07 5.07 5.07 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 5.86 5.86 5.86 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 8.23 8.23 8.23 Drug Central
A3 AA3R Human Adenosine A pKi 8.29 8.29 8.29 Drug Central
A1 AA1R Rat Adenosine A pKi 8.33 8.33 8.33 Drug Central
A2A AA2AR Rat Adenosine A pKi 8.36 8.36 8.36 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 5.8 5.8 5.8 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 5.76 5.76 5.76 ChEMBL