Pitolisant (CED0009287)

Record Information

Version

1.0

Creation Date

2026-04-14 18:18:50 UTC

Update Date

2026-05-14 19:11:09 UTC

SynCED ID

CED0009287

Secondary Accession Numbers

CHEM131286

Identification

Common Name

Pitolisant

Class

Small Molecule

Description

Pitolisant is an organic compound with the formula C17H26ClNO and an average molecular weight of 295.85 g/mol. Pitolisant belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically categorized as unclassified nervous system drugs, and is administered via the oral exposure route. Pitolisant acts on two recorded protein targets: it serves as an antagonist and inverse agonist/blocker of the Histamine H3 receptor (HRH3), and it targets the voltage-gated inwardly rectifying potassium channel KCNH2.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₂₆ClNO

Average Molecular Mass

295.850 g/mol

Monoisotopic Mass

295.170 g/mol

CAS Registry Number

362665-56-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

ClC1=CC=C(CCCOCCCN2CCCCC2)C=C1

InChI Identifier

InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2

InChI Key

NNACHAUCXXVJSP-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0002-9700000000-3dbad73168be1a49e119	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0590000000-81de9a6a39c65fd0dcef	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f92-6920000000-9c9a86f5250502935877	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f96-9700000000-bce3092a44893f241028	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0490000000-07c881bceeacb79cc9c1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000x-4930000000-77ebf455bd0ade37ad3a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9500000000-fa417cfa87d3c1e8a33d	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000384	Unclassified nervous system drugs?Unclassified nervous system drugs encompass a wide range of synthetic chemicals that are designed to affect the central and peripheral nervous systems.	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	Prediction Confidence Score 0.706 Applicability Domain 1.0 Statistical Significance 5.00e-05 Supporting Reference Compounds 294 E-value 0.389246
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.664 Applicability Domain 1.0 Statistical Significance 2.00e-04 Supporting Reference Compounds 507 E-value 1.55698
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.578 Applicability Domain 0.971 Statistical Significance 8.00e-04 Supporting Reference Compounds 562 E-value 6.22794
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.571 Applicability Domain 1.0 Statistical Significance 8.90e-04 Supporting Reference Compounds 229 E-value 6.92858
Click to view 3D structure	Histamine H3 receptor	Q9JI35	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.556 Applicability Domain 1.0 Statistical Significance 1.40e-04 Supporting Reference Compounds 56 E-value 1.08989
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.55 Applicability Domain 1.0 Statistical Significance 0.0011 Supporting Reference Compounds 201 E-value 8.32987
Click to view 3D structure	Histamine H3 receptor	Q9QYN8	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.539 Applicability Domain 1.0 Statistical Significance 3.10e-04 Supporting Reference Compounds 80 E-value 2.41333
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.538 Applicability Domain 0.971 Statistical Significance 5.60e-04 Supporting Reference Compounds 308 E-value 4.35956
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.537 Applicability Domain 1.0 Statistical Significance 0.0036 Supporting Reference Compounds 1498 E-value 27.87
Click to view 3D structure	Sigma intracellular receptor 2	Q5U3Y7	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.518 Applicability Domain 1.0 Statistical Significance 4.60e-04 Supporting Reference Compounds 110 E-value 3.58106
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.499 Applicability Domain 0.971 Statistical Significance 0.0036 Supporting Reference Compounds 823 E-value 27.7922
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.498 Applicability Domain 0.971 Statistical Significance 0.003 Supporting Reference Compounds 565 E-value 23.6662
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.971 Statistical Significance 0.0011 Supporting Reference Compounds 451 E-value 8.40772
Click to view 3D structure	Histamine H4 receptor	Q9H3N8	Humans	Predicted (SEA)	Prediction Confidence Score 0.488 Applicability Domain 1.0 Statistical Significance 5.60e-04 Supporting Reference Compounds 150 E-value 4.35956
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.444 Applicability Domain 0.49 Statistical Significance 0.0095 Supporting Reference Compounds 861 E-value 74.1903
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.444 Applicability Domain 0.49 Statistical Significance 0.0107 Supporting Reference Compounds 955 E-value 83.6101
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.444 Applicability Domain 0.49 Statistical Significance 0.0138 Supporting Reference Compounds 1103 E-value 107.121
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.444 Applicability Domain 0.49 Statistical Significance 0.0112 Supporting Reference Compounds 953 E-value 87.5025
Click to view 3D structure	D(4) dopamine receptor	P30729	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.444 Applicability Domain 0.49 Statistical Significance 0.0011 Supporting Reference Compounds 92 E-value 8.25202
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.432 Applicability Domain 0.971 Statistical Significance 0.0013 Supporting Reference Compounds 297 E-value 10.5096
Click to view 3D structure	D(1B) dopamine receptor	P21918	Humans	Predicted (SEA)	Prediction Confidence Score 0.416 Applicability Domain 0.468 Statistical Significance 0.0034 Supporting Reference Compounds 209 E-value 26.3909
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.416 Applicability Domain 0.468 Statistical Significance 0.0062 Supporting Reference Compounds 425 E-value 48.5779
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.416 Applicability Domain 0.537 Statistical Significance 0.0068 Supporting Reference Compounds 406 E-value 53.171
Click to view 3D structure	Histamine H3 receptor	P58406	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.414 Applicability Domain 1.0 Statistical Significance 3.00e-05 Supporting Reference Compounds 17 E-value 0.233548
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.387 Applicability Domain 0.431 Statistical Significance 0.0126 Supporting Reference Compounds 593 E-value 97.7786