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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL22150
CHEMBL22150
Compound Name CHLORCYCLIZINE
ChEMBL Synonyms DI-PARALENE | CHLORCYCLIZINE HYDROCHLORIDE | CHLORCYCLIZINE
Max Phase 1
Trade Names
Molecular Formula C18H21ClN2

Additional synonyms for CHEMBL22150 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
Standard InChI InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6- ...
Download InChI
Standard InChI Key WFNAKBGANONZEQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL22150

Molecule Features

CHEMBL22150 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Hepatitis C, ChronicD019698EFO:0004220Chronic Hepatitis C infection1ClinicalTrials

Clinical Data

ClinicalTrials.gov CHLORCYCLIZINE
The Cochrane Collaboration CHLORCYCLIZINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL22150. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL238 Dopamine transporter Homo sapiens 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 0.997
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.995
CHEMBL228 Serotonin transporter Homo sapiens 0.994
CHEMBL222 Norepinephrine transporter Homo sapiens 0.988
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.976
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.973
CHEMBL338 Dopamine transporter Rattus norvegicus 0.971
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.898
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.876
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.824
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.811
CHEMBL236 Delta opioid receptor Homo sapiens 0.804
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.769
CHEMBL4777 Neuropeptide Y receptor type 1 Homo sapiens 0.669
CHEMBL264 Histamine H3 receptor Homo sapiens 0.639
CHEMBL259 Melanocortin receptor 4 Homo sapiens 0.593
CHEMBL4657 Dipeptidyl peptidase VIII Homo sapiens 0.548



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL238 Dopamine transporter Homo sapiens 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 0.999
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.998
CHEMBL228 Serotonin transporter Homo sapiens 0.997
CHEMBL222 Norepinephrine transporter Homo sapiens 0.995
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.991
CHEMBL236 Delta opioid receptor Homo sapiens 0.988
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.983
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.982
CHEMBL259 Melanocortin receptor 4 Homo sapiens 0.974
CHEMBL4018 Neuropeptide Y receptor type 2 Homo sapiens 0.971
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.959
CHEMBL338 Dopamine transporter Rattus norvegicus 0.945
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.942
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.888
CHEMBL233 Mu opioid receptor Homo sapiens 0.830
CHEMBL6184 Transporter Rattus norvegicus 0.830
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.725

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
300.8 300.1393 3.68 3 6.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.47 3.24 2.87 2 21 0.85

Structural Alerts

There are no structural alerts for CHEMBL22150

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R06 - ANTIHISTAMINES FOR SYSTEMIC USE
R06A - ANTIHISTAMINES FOR SYSTEMIC USE
R06AE - Piperazine derivatives
R06AE04 - chlorcyclizine

ChemSpider ChemSpider:WFNAKBGANONZEQ-UHFFFAOYSA-N
Wikipedia Chlorcyclizine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22150



ACToR 82-93-9
BindingDB 50329371
ChEBI 94402
DrugBank DB08936
DrugCentral 593
eMolecules 901616
EPA CompTox Dashboard DTXSID9048011
Human Metabolome Database HMDB0240224
IBM Patent System 34BCA5218CED6C31C5C1943D52A879A0
LINCS LSM-5088
Mcule MCULE-4720374498
Nikkaji J4.622A
PubChem 2710
PubChem: Thomson Pharma 15370305
SureChEMBL SCHEMBL4383

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WFNAKBGANONZEQ-UHFFFAOYSA-N spacer
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