TICLOPIDINE


Synonyms	Ticlopidin-puren Ticlopidine
Status
Molecule Category	Free-form
ATC	B01AC05
UNII	OM90ZUW7M1
EPA CompTox	DTXSID5023669


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	PHWBOXQYWZNQIN-UHFFFAOYSA-N
Smiles	Clc1ccccc1CN1CCc2sccc2C1
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H14ClNS
Molecular Weight	263.79
AlogP	3.96
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	2.0
Polar Surface Area	3.24
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	17.0

Metabolites Network

visNetwork

Cross References

Resources	Reference
ChEBI	9588
ChEMBL	CHEMBL833
DrugBank	DB00208
DrugCentral	2657
FDA SRS	OM90ZUW7M1
Human Metabolome Database	HMDB0014353
Guide to Pharmacology	7307
KEGG	C07140
PDB	TIC
PharmGKB	PA451686
PubChem	5472
SureChEMBL	SCHEMBL4204
ZINC	ZINC000019594599

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).