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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200408
CHEMBL1200408
Compound Name PANTOPRAZOLE SODIUM
ChEMBL Synonyms PANTOPRAZOLE SODIUM | PROTONIX | PROTONIX IV
Max Phase 0
Trade Names
Molecular Formula C16H14F2N3NaO4S

Additional synonyms for CHEMBL1200408 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
Standard InChI InChI=1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26 ...
Download InChI
Standard InChI Key YNWDKZIIWCEDEE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1200408

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200408. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL288 Phosphodiesterase 4D Homo sapiens 0.912
CHEMBL3394 Tubulin beta chain Bos taurus 0.641

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3919 Potassium-transporting ATPase alpha chain 1 Sus scrofa 1.000
CHEMBL3658 Tubulin alpha chain Sus scrofa 0.998
CHEMBL3721 Cytochrome P450 2C8 Homo sapiens 0.979
CHEMBL1743122 Solute carrier family 22 member 2 Homo sapiens 0.703
CHEMBL288 Phosphodiesterase 4D Homo sapiens 0.578

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
383.4 383.0751 2.88 7 86.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.33 3.28 1.48 1.47 3 26 0.68

Structural Alerts

There are 5 structural alerts for CHEMBL1200408. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YNWDKZIIWCEDEE-UHFFFAOYSA-N
PubChem SID: 144206548 SID: 144212679

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200408



ACToR 138786-67-1
ChEBI 50270
ChemicalBook CB0415897
eMolecules 31706387 11312468 17392608
EPA CompTox Dashboard DTXSID7044215
MolPort MolPort-006-069-204 MolPort-019-938-996 MolPort-006-823-953
NIH Clinical Collection SAM001246591
PubChem 15008962 23713799
PubChem: Drugs of the Future 12014503
PubChem: Thomson Pharma 14903911
SureChEMBL SCHEMBL3543

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YNWDKZIIWCEDEE-UHFFFAOYSA-N spacer
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