PANTOPRAZOLE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A02BC02
UNII D8TST4O562
EPA CompTox DTXSID4023416

Structure

InChI Key IQPSEEYGBUAQFF-UHFFFAOYSA-N
Smiles COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC
InChI
InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15F2N3O4S
Molecular Weight 383.38
AlogP 2.88
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 86.33
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- - - - 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 15.2-81.37
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 79.12-81.37
Entamoeba histolytica
- 2.6 - - -
Giardia intestinalis
- 15.7 - - -
Homo sapiens
- - - - 0-23.4
Trichomonas vaginalis
- 75.6-75.6 - - -

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 7915
ChEMBL CHEMBL1502
DrugBank DB00213
DrugCentral 2054
FDA SRS D8TST4O562
Human Metabolome Database HMDB0005017
Guide to Pharmacology 7260
KEGG C11806
PharmGKB PA450774
PubChem 4679
SureChEMBL SCHEMBL29465
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