ticlopidine   Click here for help

GtoPdb Ligand ID: 7307

Synonyms: 4-C-32 | 53-32C | Ticlid®
Approved drug PDB Ligand
ticlopidine is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: Ticlopidine is an antiplatelet drug. This compound is believed to be a prodrug, although the exact form of the active metabolite remains elusive.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 31.48
Molecular weight 263.05
XLogP 3.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccccc1CN1CCc2c(C1)ccs2
Isomeric SMILES Clc1ccccc1CN1CCc2c(C1)ccs2
InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
InChI Key PHWBOXQYWZNQIN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
IUPAC Name Click here for help
5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine
International Nonproprietary Names Click here for help
INN number INN
3908 ticlopidine
Synonyms Click here for help
4-C-32 | 53-32C | Ticlid®
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9611258
Reactome Reaction Reactome logo R-HSA-9611277
Other databases
CAS Registry No. 55142-85-3
ChEMBL Ligand CHEMBL833
DrugBank Ligand DB00208
DrugCentral Ligand 2657
GtoPdb PubChem SID 178103880
PubChem CID 5472
RCSB PDB Ligand TIC
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Wikipedia Ticlopidine