NISOLDIPINE


SMILES COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]
InChIKey VKQFCGNPDRICFG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 388.2

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
A3 AA3R Human Adenosine A pKi 5.39 5.39 5.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.64 5.64 5.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.25 8.25 8.25 Drug Central
A3 AA3R Human Adenosine A pKi 8.27 8.27 8.27 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 5.15 5.15 5.15 ChEMBL
A2A AA2AR Human Adenosine A pIC50 5.39 5.39 5.39 ChEMBL