TICLOPIDINE

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

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
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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 36
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6
- 600 - 200-800 35-98
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- - - - 60-104.4
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 26
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 0.2-23
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 600 - 200-800 0.2-104.4
Oryctolagus cuniculus
- - - - 11.53-26.45
Rattus norvegicus
- - - - 0.9-98.7

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
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