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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL833
CHEMBL833
Compound Name TICLOPIDINE
ChEMBL Synonyms 4-C-32 | 53-32C | TICLOPIDINE | TICLID | TIKLID | TICLOPIDINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names TICLOPIDINE HYDROCHLORIDE | TICLID | TIKLID
Molecular Formula C14H14ClNS

Additional synonyms for CHEMBL833 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccccc1CN2CCc3sccc3C2
Standard InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-1 ...
Download InChI
Standard InChI Key PHWBOXQYWZNQIN-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Open TG-GATEs
  • 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


CHEMBL833

Molecule Features

CHEMBL833 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Purinergic receptor P2Y12 antagonist Purinergic receptor P2Y12 PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ThrombosisD013927HP:0004419Recurrent thrombophlebitis4ATC
Carotid StenosisD016893EFO:0002615internal carotid artery stenosis3ClinicalTrials
Peripheral Arterial DiseaseD058729EFO:0004265peripheral arterial disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov TICLOPIDINE
The Cochrane Collaboration TICLOPIDINE

Metabolites for CHEMBL833

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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 CHEMBL833. 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
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.993
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.942
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.936
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.570
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.414
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.288
CHEMBL244 Coagulation factor X Homo sapiens 0.225
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.219



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.956
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.912
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.901
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.764
CHEMBL1293222 Nucleotide-binding oligomerization domain-containing protein 1 Homo sapiens 0.688
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.583
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.313
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.260
CHEMBL1293266 Nucleotide-binding oligomerization domain-containing protein 2 Homo sapiens 0.238

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
263.8 263.0535 3.96 2 3.24 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.1 3.23 3.06 2 17 0.79

Structural Alerts

There are no structural alerts for CHEMBL833

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B01 - ANTITHROMBOTIC AGENTS
B01A - ANTITHROMBOTIC AGENTS
B01AC - Platelet aggregation inhibitors excl. heparin
B01AC05 - ticlopidine

ChemSpider ChemSpider:PHWBOXQYWZNQIN-UHFFFAOYSA-N
DailyMed ticlopidine hydrochloride
PubChem SID: 104171328 SID: 11112786 SID: 124882626 SID: 144204209 SID: 170464698 SID: 26751617 SID: 50085878
Wikipedia Ticlopidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL833



ACToR 55142-85-3
Atlas ticlopidine
BindingDB 85509
Brenda 155123
ChEBI 9588
DrugBank DB00208
DrugCentral 2657
eMolecules 902580
EPA CompTox Dashboard DTXSID5023669
FDA SRS OM90ZUW7M1
Guide to Pharmacology 7307
Human Metabolome Database HMDB0014353
IBM Patent System 87A1A73398EB757AFC3A7028B6EC5EC8
KEGG Ligand C07140
LINCS LSM-1986
Mcule MCULE-3971692083
MolPort MolPort-002-507-849
Nikkaji J11.390E
PDBe TIC
PharmGKB PA451686
PubChem 5472
PubChem: Thomson Pharma 15197138
SureChEMBL SCHEMBL4204
ZINC ZINC000019594599

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