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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL896
CHEMBL896
Compound Name HYDROXYZINE
ChEMBL Synonyms ATARAX | HYDROXYZINE | Vistaril | ORGATRAX | Orgatrax | HYDROXYZINE HYDROCHLORIDE | HYDROXIZINE CHLORIDE | Atarax | HY-PAM "25" | HYDROXYZINE PAMOATE | HY-PAM | VISTARIL | UCERAX
Max Phase 4 (Approved)
Trade Names HYDROXYZINE | HY-PAM "25" | HY-PAM | VISTARIL | UCERAX | ORGATRAX | HYDROXYZINE PAMOATE | ATARAX | HYDROXYZINE HYDROCHLORIDE | Vistaril
Molecular Formula C21H27ClN2O2

Additional synonyms for CHEMBL896 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
Standard InChI InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-1 ...
Download InChI
Standard InChI Key ZQDWXGKKHFNSQK-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL896

Molecule Features

CHEMBL896 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Histamine H1 receptor antagonist Histamine H1 receptor ISBN PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Skin DiseasesD012871EFO:0000701skin disease4DailyMed
Neurotic DisordersD009497EFO:0004257neurotic disorder4DailyMed
PruritusD011537HP:0000989Pruritus4DailyMed
UrticariaD014581EFO:0005531urticaria4DailyMed
AnxietyD001007EFO:0005230anxiety4ATC
ATC

Clinical Data

ClinicalTrials.gov HYDROXYZINE
The Cochrane Collaboration HYDROXYZINE

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 CHEMBL896. 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
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL3943 Histamine H1 receptor Cavia porcellus 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 0.999
CHEMBL338 Dopamine transporter Rattus norvegicus 0.999
CHEMBL228 Serotonin transporter Homo sapiens 0.999
CHEMBL2014 Nociceptin receptor Homo sapiens 0.999
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.999
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.998
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.995
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.994
CHEMBL287 Sigma opioid receptor Homo sapiens 0.994
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.989
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.984
CHEMBL264 Histamine H3 receptor Homo sapiens 0.984
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.979
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.965
CHEMBL6184 Transporter Rattus norvegicus 0.939



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 1.000
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL3943 Histamine H1 receptor Cavia porcellus 1.000
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.999
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.997
CHEMBL338 Dopamine transporter Rattus norvegicus 0.997
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.996
CHEMBL264 Histamine H3 receptor Homo sapiens 0.994
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.993
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.993
CHEMBL287 Sigma opioid receptor Homo sapiens 0.988
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.988

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
374.9 374.1761 3.06 8 35.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.62 2.32 2.25 2 26 0.72

Structural Alerts

There are 3 structural alerts for CHEMBL896. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BB - Diphenylmethane derivatives
N05BB51 - hydroxyzine, combinations

N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BB - Diphenylmethane derivatives
N05BB01 - hydroxyzine

ChemSpider ChemSpider:ZQDWXGKKHFNSQK-UHFFFAOYSA-N
DailyMed hydroxyzine hydrochloride hydroxyzine pamoate
PubChem SID: 144207118 SID: 170464958
Wikipedia Hydroxyzine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL896



ACToR 68-88-2
Atlas hydroxyzine
BindingDB 22875
Brenda 145968 146702 145054
ChEBI 5818
DrugBank DB00557
DrugCentral 1400
eMolecules 1987151
EPA CompTox Dashboard DTXSID8023137
Guide to Pharmacology 7199
Human Metabolome Database HMDB0014697
IBM Patent System 52F6C689D9FA24B34324B3B857BC0EE9
KEGG Ligand C07045
LINCS LSM-5103
Mcule MCULE-6995009916
MolPort MolPort-002-506-318
Nikkaji J4.860G
PharmGKB PA449943
PubChem 3658
PubChem: Thomson Pharma 14853297
SureChEMBL SCHEMBL4491

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