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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL295409
CHEMBL295409
Compound Name TIAMENIDINE
ChEMBL Synonyms HOE 440 | SYMCOR BASE TTS | SYMCOR | TIAMENIDINE | TIAMENIDINE HYDROCHLORIDE | HOE 42-440
Max Phase 0
Trade Names
Molecular Formula C8H10ClN3S

Additional synonyms for CHEMBL295409 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1csc(Cl)c1NC2=NCCN2
Standard InChI InChI=1S/C8H10ClN3S/c1-5-4-13-7(9)6(5)12-8-10-2-3-11-8/h4H,2 ...
Download InChI
Standard InChI Key CVWILQHZFWRYPB-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL295409

Molecule Features

CHEMBL295409 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 TIAMENIDINE
The Cochrane Collaboration TIAMENIDINE

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 CHEMBL295409. 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
CHEMBL5221 Nischarin Rattus norvegicus 1.000
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL266 Alpha-2b adrenergic receptor Rattus norvegicus 1.000
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 1.000



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5221 Nischarin Rattus norvegicus 1.000
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 1.000
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 1.000
CHEMBL266 Alpha-2b adrenergic receptor Rattus norvegicus 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
215.7 215.0284 1.63 2 64.66 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.53 1.87 .76 1 13 0.79

Structural Alerts

There are no structural alerts for CHEMBL295409

Compound Cross References

ChemSpider ChemSpider:CVWILQHZFWRYPB-UHFFFAOYSA-N
Wikipedia Tiamenidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL295409



ACToR 31428-61-2
ChEBI 134896
DrugCentral 2649
EPA CompTox Dashboard DTXSID80185349
FDA SRS 195V08O55G
IBM Patent System 3A13473A8CDC9D25A7BD0F9D6B674363
Nikkaji J20.515J
PubChem 39974
PubChem: Drugs of the Future 12013133
PubChem: Thomson Pharma 15172028
SureChEMBL SCHEMBL112844
ZINC ZINC000000002646

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