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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1306
CHEMBL1306
Compound Name TERCONAZOLE
ChEMBL Synonyms TERAZOL 7 | Panlomyc | TERAZOL 3 | TRIACONAZOLE | R-42,470 | Gyno-Terazol | Fungistat | TERAZOL | TERCONAZOLE
Max Phase 4 (Approved)
Trade Names Panlomyc | TERAZOL 7 | Triaconazole | TERAZOL 3 | Fungistat | Gyno-Terazol | TERCONAZOLE | TERAZOL
Molecular Formula C26H31Cl2N5O3

Additional synonyms for CHEMBL1306 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)c ...
Download SMILES
Standard InChI InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22 ...
Download InChI
Standard InChI Key BLSQLHNBWJLIBQ-OZXSUGGESA-N

Sources

  • DrugMatrix
  • 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


CHEMBL1306

Molecule Features

CHEMBL1306 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cytochrome P450 51 inhibitor Cytochrome P450 51 DailyMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
InfectionD007239EFO:0000544infection3ClinicalTrials
VaginitisD014627EFO:0005757vaginal inflammation0ClinicalTrials

Clinical Data

ClinicalTrials.gov TERCONAZOLE
The Cochrane Collaboration TERCONAZOLE

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 CHEMBL1306. 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
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL5035 Heme oxygenase 1 Rattus norvegicus 0.996
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.977
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.585
CHEMBL3348 Heme oxygenase 2 Rattus norvegicus 0.212

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
532.5 531.1804 4.46 8 64.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 1 8 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.33 4.19 3.57 3 36 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL1306. 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
G01AG - Triazole derivatives
G01AG02 - terconazole

ChemSpider ChemSpider:BLSQLHNBWJLIBQ-OZXSUGGESA-N
DailyMed terconazole
PubChem SID: 144204230 SID: 56463234
Wikipedia Terconazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1306



ACToR 67915-31-5
BindingDB 50375318
ChEBI 82980
ChemicalBook CB9309432
DrugBank DB00251
eMolecules 30512985
EPA CompTox Dashboard DTXSID2045498
Human Metabolome Database HMDB0014396
IBM Patent System C68AD496F7E6E51DF4F5981B8420B441
KEGG Ligand C08080
LINCS LSM-3923
MolPort MolPort-006-133-612
Nikkaji J283.070A
PharmGKB PA164768834
PubChem 441383
PubChem: Thomson Pharma 14885475 15806166
SureChEMBL SCHEMBL23165
ZINC ZINC000003873936

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