NIFEDIPINE


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 346.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 4.74 4.74 4.74 ChEMBL
CCR2 CCR2 Human Chemokine A pKi 6.07 6.07 6.07 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.54 5.54 5.54 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.02 5.02 5.02 ChEMBL
A3 AA3R Human Adenosine A pKi 5.08 5.18 5.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.65 4.65 4.65 ChEMBL
A1 AA1R Human Adenosine A pKi 5.35 5.35 5.35 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.49 6.49 6.49 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.3 8.3 8.3 Drug Central
CCR2 CCR2 Human Chemokine A pKi 8.22 8.22 8.22 Drug Central
A1 AA1R Human Adenosine A pKi 8.27 8.27 8.27 Drug Central
A2A AA2AR Human Adenosine A pKi 8.33 8.33 8.33 Drug Central
A3 AA3R Human Adenosine A pKi 8.29 8.29 8.29 Drug Central
A1 AA1R Rat Adenosine A pKi 8.26 8.26 8.26 Drug Central
A2A AA2AR Rat Adenosine A pKi 8.32 8.32 8.32 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.8 4.8 4.8 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 5.66 5.66 5.66 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 4.74 4.74 4.74 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.14 5.14 5.14 ChEMBL
A1 AA1R Human Adenosine A pIC50 5.11 5.11 5.11 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 6.8 6.8 6.8 ChEMBL