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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1184360
CHEMBL1184360
Compound Name DIAMTHAZOLE
ChEMBL Synonyms DIAMTHAZOLE | DIAMTHAZOLE DIHYDROCHLORIDE | DIMAZOLE
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C15H23N3OS

Additional synonyms for CHEMBL1184360 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C
Standard InChI InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)2 ...
Download InChI
Standard InChI Key WGMYEOIMVYADRJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification
  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL1184360

Molecule Features

CHEMBL1184360 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:N Black Box:N Availability Type:Unknown

Withdrawal Information

Year 1972
Country France; United States
Reason Neuropsychiatric Reaction
Class Neurotoxicity; Psychiatric toxicity

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available PubMed PubMed PubMed PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov DIAMTHAZOLE
The Cochrane Collaboration DIAMTHAZOLE

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 CHEMBL1184360. 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
CHEMBL3593 Lanosterol synthase Homo sapiens 0.978
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.974
CHEMBL2731 Galanin receptor 3 Homo sapiens 0.958
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.906
CHEMBL264 Histamine H3 receptor Homo sapiens 0.893
CHEMBL2749 Platelet-derived growth factor receptor beta Mus musculus 0.800
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.555
CHEMBL240 HERG Homo sapiens 0.543
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.402
CHEMBL344 Melanin-concentrating hormone receptor 1 Homo sapiens 0.307
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 0.280
CHEMBL2459 Peroxisome proliferator-activated receptor gamma Mus musculus 0.266
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.244



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.991
CHEMBL3593 Lanosterol synthase Homo sapiens 0.988
CHEMBL2731 Galanin receptor 3 Homo sapiens 0.981
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.871
CHEMBL264 Histamine H3 receptor Homo sapiens 0.840
CHEMBL5763 Cholinesterase Equus caballus 0.826
CHEMBL5150 Luciferin 4-monooxygenase Photuris pennsylvanica 0.800
CHEMBL5355 Lanosterol synthase Saccharomyces cerevisiae S288c 0.724
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.658
CHEMBL5356 Cycloartenol synthase Arabidopsis thaliana 0.651
CHEMBL5869 Heat shock factor protein 1 Homo sapiens 0.587
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.574
CHEMBL5114 Quinolone resistance protein norA Staphylococcus aureus 0.323
CHEMBL240 HERG Homo sapiens 0.302
CHEMBL2459 Peroxisome proliferator-activated receptor gamma Mus musculus 0.272
CHEMBL344 Melanin-concentrating hormone receptor 1 Homo sapiens 0.239

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
293.4 293.1562 3.08 7 28.6 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.49 3.22 1.15 2 20 0.78

Structural Alerts

There are no structural alerts for CHEMBL1184360

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AE - Other antifungals for topical use
D01AE17 - dimazole

ChemSpider ChemSpider:WGMYEOIMVYADRJ-UHFFFAOYSA-N
PubChem SID: 144205400 SID: 29216167

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1184360



ACToR 1334-31-2 95-27-2 7162-33-6
ChEBI 103934
DrugBank DB13858
DrugCentral 3725
eMolecules 2566845
EPA CompTox Dashboard DTXSID1046182
FDA SRS 2KL01R8ZV1
IBM Patent System CF1F89A874427E23A5C4330D97C19C98
LINCS LSM-15287
Mcule MCULE-1296500148
MolPort MolPort-002-547-219
Nikkaji J4.711B
PubChem 8708
PubChem: Thomson Pharma 15022866
SureChEMBL SCHEMBL467444
ZINC ZINC000000001271

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