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Compound Detail

CHEMBL3989559

PANTOPRAZOLE SODIUM
💊 Approved Drug
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💊 Approved Drug
COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3989559
Name PANTOPRAZOLE SODIUM
Phase Approved
Structure Type MOL
InChI Key CGJRLPRCWSHOFU-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1502
Active Moiety CHEMBL1502

Known Names

Controloc control Pantecta control Pantoloc control Pantoprazole (as sodium) Pantoprazole sodium Pantoprazole sodium hydrate Pantoprazole sodium sesquihydrate Pantozol control Protonix Protonix iv Somac control
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
20
Publications
11
Known Names
5
Indications
1
Mechanisms

Molecular Properties

383.4
MW (Da)
2.88
ALogP
6
HBA
1
HBD
92.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2000
Availability Prescription
Chirality Racemic

Routes of Administration

Oral Parenteral
USAN Stem -prazole
USAN Year 1999

Extended Properties

Molecular Formula C16H16F2N3NaO5S
MW 423.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.88

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Potassium-transporting ATPase inhibitor INHIBITOR Potassium-transporting ATPase ✓ ✓

Indications

Esophagitis Gastroesophageal Reflux Zollinger-Ellison Syndrome Lecithin Cholesterol Acyltransferase Deficiency Neoplasms

Activity Summary

IC50 1 meas. best 4.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.84 4.84 14500.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 7.333 mL.min-1.kg-1 Rattus norvegicus
CL 9.5 mL.min-1.kg-1 Rattus norvegicus
Fu 0.271 - Rattus norvegicus
Fu 0.26 - Rattus norvegicus
Fu 0.0238 - Rattus norvegicus
Fu 0.0233 - Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 14500.0 nM 4.84 Inhibition of Trichomonas vaginalis uridine nucleoside ribohydrolase using 5-flu... 24468412

Literature References

PubMed DOI Target Context # Activities
22344699 10.1124/dmd.111.041608 ADMET 8
22344699 10.1124/dmd.111.041608 Serum 6
22344699 10.1124/dmd.111.041608 Nucleic Acid 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
24468412 10.1016/j.bmcl.2014.01.014 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
22344699 10.1124/dmd.111.041608 MDCK 2
22344699 10.1124/dmd.111.041608 Broad substrate specificity ATP-binding cassette transporter ABCG2 2
22344699 10.1124/dmd.111.041608 No relevant target 2
22344699 10.1124/dmd.111.041608 Rattus norvegicus 2
28512024 10.1016/j.bmcl.2017.05.010 Cytosolic endo-beta-N-acetylglucosaminidase 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine