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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200471
CHEMBL1200471
Compound Name PYRITHIONE ZINC
ChEMBL Synonyms Head & Shoulders Conditioner | Pyrithione Zinc
Max Phase 4 (Approved)
Trade Names Head & Shoulders Conditioner
Molecular Formula C10H8N2O2S2Zn

Additional synonyms for CHEMBL1200471 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Zn+2].[O-][n+]1ccccc1[S-].[O-][n+]2ccccc2[S-]
Standard InChI InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/ ...
Download InChI
Standard InChI Key OTPSWLRZXRHDNX-UHFFFAOYSA-L

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available PubMed PubMed

Molecule Features

CHEMBL1200471 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Discontinued

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 7 structural alerts for CHEMBL1200471. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1200471

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
127.2 127.0092 0.73 0 64.25 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.41 - -.92 -3.1 1 8 0.32

Compound Cross References

ATC D - DERMATOLOGICALS
D11 - OTHER DERMATOLOGICAL PREPARATIONS
D11A - OTHER DERMATOLOGICAL PREPARATIONS
D11AX - Other dermatologicals
D11AX12 - pyrithione zinc

ChemSpider ChemSpider:OTPSWLRZXRHDNX-UHFFFAOYSA-L
PubChem SID: 124894315 SID: 144204733 SID: 144206950 SID: 144209378 SID: 144213522 SID: 17388662 SID: 549709
Wikipedia Zinc_pyrithione

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200471



ACToR 13463-41-7 109702-19-4
ChEBI 32076
eMolecules 6877416 3717344
FDA SRS R953O2RHZ5
Guide to Pharmacology 2597
MolPort MolPort-035-395-761 MolPort-023-220-327
Nikkaji J136.560F
PubChem 26041 415267
PubChem: Thomson Pharma 14874585
SureChEMBL SCHEMBL40083

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