VERAPAMIL


SMILES COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
InChIKey SGTNSNPWRIOYBX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 13
Molecular weight (Da) 454.3

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
α1B ADA1B Rat Adrenoceptors A pKi 6.03 6.03 6.03 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.07 6.07 6.07 ChEMBL
H2 HRH2 Human Histamine A pKi 5.59 5.59 5.59 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.66 6.66 6.66 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.98 6.98 6.98 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.81 6.81 6.81 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.2 7.2 7.2 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.85 6.85 6.85 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.64 6.64 6.64 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.18 8.18 8.18 Drug Central
D3 DRD3 Human Dopamine A pKi 8.14 8.14 8.14 Drug Central
H2 HRH2 Human Histamine A pKi 8.25 8.25 8.25 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M2 ACM2 Pig Acetylcholine (muscarinic) A pEC50 4.51 4.51 4.51 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 5.77 5.77 5.77 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.68 5.68 5.68 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.59 5.59 5.59 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.52 5.52 5.52 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.24 6.24 6.24 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.78 6.78 6.78 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.53 6.53 6.53 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.73 6.73 6.73 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.36 6.36 6.36 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.3 5.3 5.3 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.26 8.26 8.26 Drug Central
α1A ADA1A Rat Adrenoceptors A pIC50 8.25 8.25 8.25 Drug Central
M2 ACM2 Pig Acetylcholine (muscarinic) A pEC50 8.35 8.35 8.35 Drug Central
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL