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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2103914
CHEMBL2103914
Compound Name TICLATONE
ChEMBL Synonyms FER-1443 | TICLATONE
Max Phase 0
Trade Names
Molecular Formula C7H4ClNOS

Additional synonyms for CHEMBL2103914 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc2C(=O)NSc2c1
Standard InChI InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,1 ...
Download InChI
Standard InChI Key POPOYOKQQAEISW-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2103914

Molecule Features

CHEMBL2103914 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 TICLATONE
The Cochrane Collaboration TICLATONE

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 CHEMBL2103914. 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
CHEMBL244 Coagulation factor X Homo sapiens 0.511
CHEMBL1900 Aldose reductase Homo sapiens 0.257

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL244 Coagulation factor X Homo sapiens 0.474

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
185.6 184.9702 2.24 0 32.86 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.72 - 2.64 2.64 2 11 0.67

Structural Alerts

There are 2 structural alerts for CHEMBL2103914. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AE - Other antifungals for topical use
D01AE08 - ticlatone

ChemSpider ChemSpider:POPOYOKQQAEISW-UHFFFAOYSA-N
PubChem SID: 170466391

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2103914



ChEBI 136026
DrugCentral 4734
eMolecules 10169186
EPA CompTox Dashboard DTXSID8057809
FDA SRS BHW384Q9GI
IBM Patent System DF465C309CB470A56741706908C2CF70
MolPort MolPort-003-845-760
Nikkaji J4.873I
PubChem 6258
PubChem: Thomson Pharma 15042188 15687072
SureChEMBL SCHEMBL193888
ZINC ZINC000000002164

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