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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152649
CHEMBL152649
Compound Name CHLORMIDAZOLE
ChEMBL Synonyms CHLORMIDAZOLE
Max Phase 0
Trade Names
Molecular Formula C15H13ClN2

Additional synonyms for CHEMBL152649 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc2ccccc2n1Cc3ccc(Cl)cc3
Standard InChI InChI=1S/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6- ...
Download InChI
Standard InChI Key WNAQOLSMVPFGTE-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


CHEMBL152649

Molecule Features

CHEMBL152649 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CHLORMIDAZOLE
The Cochrane Collaboration CHLORMIDAZOLE

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 CHEMBL152649. 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
CHEMBL5136 Platelet activating factor receptor Cavia porcellus 0.995
CHEMBL3374 Angiotensin II type 1a (AT-1a) receptor Bos taurus 0.924
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.811
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.629
CHEMBL240 HERG Homo sapiens 0.507
CHEMBL250 Platelet activating factor receptor Homo sapiens 0.261



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3348 Heme oxygenase 2 Rattus norvegicus 0.999
CHEMBL231 Histamine H1 receptor Homo sapiens 0.999
CHEMBL3374 Angiotensin II type 1a (AT-1a) receptor Bos taurus 0.989
CHEMBL5136 Platelet activating factor receptor Cavia porcellus 0.950
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.904
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.591
CHEMBL1293222 Nucleotide-binding oligomerization domain-containing protein 1 Homo sapiens 0.564
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.526
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.466
CHEMBL5514 Huntingtin Homo sapiens 0.397
CHEMBL3563 Cruzipain Trypanosoma cruzi 0.381
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.378
CHEMBL250 Platelet activating factor receptor Homo sapiens 0.348
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.232
CHEMBL240 HERG Homo sapiens 0.215

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
256.7 256.0767 4.05 2 17.82 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
- 5.41 4.33 4.32 3 18 0.68

Structural Alerts

There are no structural alerts for CHEMBL152649

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AC - Imidazole and triazole derivatives
D01AC04 - chlormidazole

ChemSpider ChemSpider:WNAQOLSMVPFGTE-UHFFFAOYSA-N
PubChem SID: 144205352 SID: 170466499 SID: 29216097 SID: 50085890

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152649



ACToR 3689-76-7
BindingDB 97156
ChEBI 135058
DrugCentral 3091
eMolecules 1249765
EPA CompTox Dashboard DTXSID5046140
FDA SRS 8IKK64FJVX
IBM Patent System 03A595FEE562027AE73EC3062ACFF791
Mcule MCULE-8186493297
Nikkaji J8.211B
PubChem 71821
PubChem: Thomson Pharma 16886794
SureChEMBL SCHEMBL148113
ZINC ZINC000000084088

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