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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1413
CHEMBL1413
Compound Name CICLOPIROX
ChEMBL Synonyms CICLOPIROX OLAMINE | LOPROX | HOE 296B | HOE 296 | CICLOPIROX | PENLAC | MYCOSTER
Max Phase 4 (Approved)
Trade Names LOPROX | CICLOPIROX | PENLAC | MYCOSTER
Molecular Formula C12H17NO2

Additional synonyms for CHEMBL1413 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CC(=O)N(O)C(=C1)C2CCCCC2
Standard InChI InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10 ...
Download InChI
Standard InChI Key SCKYRAXSEDYPSA-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Drugs for Neglected Diseases Initiative (DNDi)
  • Harvard Malaria Screening
  • Orange Book
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1413

Molecule Features

CHEMBL1413 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:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Aluminium chelating agent Aluminium PubMed PubMed
Iron chelating agent Iron PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Dermatitis, SeborrheicD012628EFO:1000764seborrheic dermatitis4DailyMed
DailyMed
DailyMed
ClinicalTrials
OnychomycosisD0140094ClinicalTrials
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
FDA
Tinea PedisD014008EFO:0007512tinea pedis3ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov CICLOPIROX
The Cochrane Collaboration CICLOPIROX

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
207.3 207.1259 2.44 1 42.23 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.25 - 2.57 1.39 1 15 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL1413. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AX - Other antiinfectives and antiseptics
G01AX12 - ciclopirox

D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AE - Other antifungals for topical use
D01AE14 - ciclopirox

ChemSpider ChemSpider:SCKYRAXSEDYPSA-UHFFFAOYSA-N
DailyMed ciclopirox
Wikipedia Ciclopirox

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1413



ACToR 29342-05-0
BindingDB 66087
Brenda 13273
ChEBI 453011
ChemicalBook CB7673863
DrugBank DB01188
DrugCentral 636
eMolecules 901641
EPA CompTox Dashboard DTXSID9048564
FDA SRS 19W019ZDRJ
Human Metabolome Database HMDB0015319
IBM Patent System 4FD0322CDB411E6DB0CE9C944AD324AB
LINCS LSM-5307
Mcule MCULE-5224910295
MolPort MolPort-003-845-943
Nikkaji J3.173I
PharmGKB PA164747060
PubChem 2749
PubChem: Thomson Pharma 14773225
Selleck Ciclopirox-Penlac
SureChEMBL SCHEMBL34424
ZINC ZINC000000001145

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