Pinaverium (CED0011778)

Record Information

Version

1.0

Creation Date

2026-04-14 17:37:42 UTC

Update Date

2026-08-22 06:58:22 UTC

SynCED ID

CED0011778

Secondary Accession Numbers

CHEM130322

Identification

Common Name

Pinaverium

Class

Small Molecule

Description

Pinaverium is an organic compound with the formula C26H41BrNO4. Pinaverium belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. With an average molecular weight of 511.52 g/mol, Pinaverium is a heavy molecule. It is found in healthcare, pharmaceuticals, and veterinary products, specifically as a drug for functional gastrointestinal disorders, and is administered via the oral exposure route. Regarding its mechanism of action, Pinaverium acts as an antagonist and inhibitor of the voltage-dependent L-type calcium channel subunit alpha-1S (CACNA1S).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₄₁BrNO₄

Average Molecular Mass

511.520 g/mol

Monoisotopic Mass

510.221 g/mol

CAS Registry Number

59995-65-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC1=C(OC)C=C(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)C(Br)=C1

InChI Identifier

InChI=1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1

InChI Key

DDHUTBKXLWCZCO-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
646.0 Log mg/kg [360:1100]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000243	Drugs for functional gastrointestinal disorders?Drugs designed for functional gastrointestinal disorders, including medications such as antispasmodics, prokinetics, and laxatives, are synthetic chemicals formulated to alleviate symptoms related to gastrointestinal motility and function.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available

Pathways

3 pathwaysPathway Source: PathBank

Pinaverium Action Pathway

Pinaverium Drug Metabolism

Pinaverium Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.25 Low confidence Statistical Significance 0.4188 Supporting Reference Compounds 955 E-value 3260.25
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.25 Low confidence Statistical Significance 0.203 Supporting Reference Compounds 380 E-value 1580.11
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.239 Low confidence Statistical Significance 0.1442 Supporting Reference Compounds 185 E-value 1122.97
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.273 Low confidence Statistical Significance 0.0714 Supporting Reference Compounds 40 E-value 556.233
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.239 Low confidence Statistical Significance 0.7708 Supporting Reference Compounds 823 E-value 6001.01
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.253 Low confidence Statistical Significance 0.5828 Supporting Reference Compounds 472 E-value 4537.36
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.232 Low confidence Statistical Significance 0.692 Supporting Reference Compounds 541 E-value 5387.32
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.234 Low confidence Statistical Significance 0.8627 Supporting Reference Compounds 953 E-value 6716.13
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.234 Low confidence Statistical Significance 0.8799 Supporting Reference Compounds 686 E-value 6849.88
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.253 Low confidence Statistical Significance 0.4719 Supporting Reference Compounds 193 E-value 3673.7
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.253 Low confidence Statistical Significance 0.4418 Supporting Reference Compounds 151 E-value 3439.46
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.194 Low confidence Statistical Significance 0.8987 Supporting Reference Compounds 593 E-value 6996.62
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.194 Low confidence Statistical Significance 0.9378 Supporting Reference Compounds 1103 E-value 7300.39
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.194 Low confidence Statistical Significance 0.9117 Supporting Reference Compounds 562 E-value 7097.2
Click to view 3D structure	Equilibrative nucleoside transporter 2	O54699	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.177 Low confidence Statistical Significance 0.0803 Supporting Reference Compounds 1 E-value 625.285
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.185 Low confidence Statistical Significance 0.8456 Supporting Reference Compounds 256 E-value 6582.62
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.185 Low confidence Statistical Significance 0.8799 Supporting Reference Compounds 386 E-value 6850.34
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.185 Low confidence Statistical Significance 0.8512 Supporting Reference Compounds 297 E-value 6626.84
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.185 Low confidence Statistical Significance 0.9287 Supporting Reference Compounds 532 E-value 7229.62
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.181 Low confidence Statistical Significance 0.6171 Supporting Reference Compounds 207 E-value 4803.92
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.209 Low confidence Statistical Significance 0.97 Supporting Reference Compounds 1130 E-value 7551.3
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.253 Low confidence Statistical Significance 0.7905 Supporting Reference Compounds 407 E-value 6154.29
Click to view 3D structure	D(1B) dopamine receptor	P21918	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.185 Low confidence Statistical Significance 0.8011 Supporting Reference Compounds 209 E-value 6236.27
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.184 Low confidence Statistical Significance 0.8972 Supporting Reference Compounds 406 E-value 6984.4
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.185 Low confidence Statistical Significance 0.9092 Supporting Reference Compounds 524 E-value 7078.05