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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1292
CHEMBL1292
Compound Name CLOFAZIMINE
ChEMBL Synonyms CLOFAZIMINE | G 30320 | LAMPRENE
Max Phase 4 (Approved)
Trade Names LAMPRENE
Molecular Formula C27H22Cl2N4

Additional synonyms for CHEMBL1292 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)\N=C\1/C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5
Standard InChI InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-1 ...
Download InChI
Standard InChI Key WDQPAMHFFCXSNU-BGABXYSRSA-N

Sources

  • British National Formulary
  • Drugs for Neglected Diseases Initiative (DNDi)
  • MMV Pathogen Box
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1292

Molecule Features

CHEMBL1292 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA FDA ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Mycobacterium avium-intracellulare InfectionD015270EFO:0007386Mycobacterium avium complex disease2ClinicalTrials
TuberculosisD014376Orphanet:3389Tuberculosis3ClinicalTrials
Tuberculosis, PulmonaryD014397EFO:1000049pulmonary tuberculosis2ClinicalTrials

Clinical Data

ClinicalTrials.gov CLOFAZIMINE
The Cochrane Collaboration CLOFAZIMINE

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 CHEMBL1292. 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
CHEMBL301 Cyclin-dependent kinase 2 Homo sapiens 0.276

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.285

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
473.4 472.1222 7.49 4 42.21 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.16 7.46 5.8 3 33 0.27

Structural Alerts

There are 5 structural alerts for CHEMBL1292. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J04 - ANTIMYCOBACTERIALS
J04B - DRUGS FOR TREATMENT OF LEPRA
J04BA - Drugs for treatment of lepra
J04BA01 - clofazimine

ChemSpider ChemSpider:WDQPAMHFFCXSNU-BGABXYSRSA-N
PubChem SID: 11112506 SID: 121269827
Wikipedia Clofazimine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1292



BindingDB 50378783
Brenda 164246
DrugCentral 692
eMolecules 536563
FDA SRS D959AE5USF
KEGG Ligand C06915
LINCS LSM-5669
MolPort MolPort-003-940-861
PubChem: Drugs of the Future 24714740
PubChem: Thomson Pharma 14761008
Selleck clofazimine
SureChEMBL SCHEMBL26757
ZINC ZINC000100037101

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