PANTOPRAZOLE

Search structure
Synonyms:
Status: Approved (2000)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A02BC02
UNII: D8TST4O562

Structure
InChI Key IQPSEEYGBUAQFF-UHFFFAOYSA-N
Smile 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 Hydrolase
- 1000 - - -
Enzyme Oxidoreductase
- 12600 - - -
Enzyme Transferase
- 36200 - 4100 -
Enzyme
- 1000 - 4100 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 15-81
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 1500 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 2800-43200 - - -
Transporter Primary active transporter P-type ATPase Hydrogen potassium ATPase
- 1000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus 3 D003920 ClinicalTrials
Laryngopharyngeal Reflux 3 D057045 ClinicalTrials
Hemorrhage 3 D006470 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Barrett Esophagus 3 D001471 ClinicalTrials
Ulcer 3 D014456 ClinicalTrials
Gastrointestinal Hemorrhage 3 D006471 ClinicalTrials
Esophageal Diseases 3 D004935 ClinicalTrials
Esophagitis 2 D004941 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials
Zollinger-Ellison Syndrome 2 D015043 ClinicalTrials
Helicobacter Infections 2 D016481 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Gastrinoma 2 D015408 ClinicalTrials
Acute Coronary Syndrome 1 D054058 ClinicalTrials
Bacterial Infections 1 D001424 ClinicalTrials
Aspergillosis 1 D001228 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 102625-70-7
ChEBI 7915
ChEMBL CHEMBL1502
DrugBank DB00213
DrugCentral 2054
EPA CompTox DTXSID4023416
FDA SRS D8TST4O562
Human Metabolome Database HMDB0005017
Guide to Pharmacology 7260
KEGG C11806
PharmGKB PA450774
PubChem 4679
SureChEMBL SCHEMBL29465
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