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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL480
CHEMBL480
Compound Name LANSOPRAZOLE
ChEMBL Synonyms PREVACID 24 HR | A-65006 | OPIREN | Prevacid SoluTab | AG-1749 | PREVACID IV | ZOTON | LANSOPRAZOLE | PREVACID | Prevacid Delayed Release
Max Phase 4 (Approved)
Trade Names Prevacid SoluTab | PREVACID | PREVACID IV | ZOTON | Prevacid Delayed Release | PREVACID 24 HR | OPIREN | LANSOPRAZOLE
Molecular Formula C16H14F3N3O2S

Additional synonyms for CHEMBL480 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c2nc3ccccc3[nH]2
Standard InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)1 ...
Download InChI
Standard InChI Key MJIHNNLFOKEZEW-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL480

Molecule Features

CHEMBL480 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Over-The-Counter

Mechanism of Action

Mechanism of Action ChEMBL Target References
Potassium-transporting ATPase inhibitor Potassium-transporting ATPase DailyMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
Gastroesophageal RefluxD005764EFO:0003948gastroesophageal reflux disease4ATC
ATC
ClinicalTrials
GoutD006073EFO:0004274gout3ClinicalTrials
Helicobacter InfectionsD0164813ClinicalTrials
Pseudomyxoma PeritoneiD011553EFO:0007456pseudomyxoma peritonei2ClinicalTrials
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus3ClinicalTrials
Helicobacter InfectionsD016481EFO:1000961Helicobacter pylori infectious disease3ClinicalTrials
Rectal NeoplasmsD012004EFO:1000657rectum cancer2ClinicalTrials
Duodenal UlcerD004381EFO:0004607duodenal ulcer3ClinicalTrials
Eosinophilic EsophagitisD057765EFO:0004232eosinophilic esophagitis2ClinicalTrials
Esophagitis, PepticD004942EFO:1001095peptic esophagitis3ClinicalTrials
Premature BirthD047928EFO:0003917premature birth2ClinicalTrials
Cystic FibrosisD003550Orphanet:586Cystic fibrosis1ClinicalTrials
Laryngopharyngeal RefluxD057045EFO:1001355Laryngopharyngeal Reflux1ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia2ClinicalTrials
PainD010146EFO:0003843pain1ClinicalTrials
Peptic UlcerD010437HP:0004398Peptic ulcer4ATC
ATC
ClinicalTrials

Clinical Data

ClinicalTrials.gov LANSOPRAZOLE
The Cochrane Collaboration LANSOPRAZOLE

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 CHEMBL480. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3919 Potassium-transporting ATPase alpha chain 1 Sus scrofa 1.000
CHEMBL3721 Cytochrome P450 2C8 Homo sapiens 0.930

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
369.4 369.0759 3.52 5 67.87 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.56 3.65 2.58 2.58 3 25 0.75

Structural Alerts

There are 5 structural alerts for CHEMBL480. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A02 - DRUGS FOR ACID RELATED DISORDERS
A02B - DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
A02BC - Proton pump inhibitors
A02BC53 - lansoprazole, combinations

A - ALIMENTARY TRACT AND METABOLISM
A02 - DRUGS FOR ACID RELATED DISORDERS
A02B - DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
A02BC - Proton pump inhibitors
A02BC03 - lansoprazole

ChemSpider ChemSpider:MJIHNNLFOKEZEW-UHFFFAOYSA-N
DailyMed lansoprazole
PubChem SID: 11111389 SID: 11111390 SID: 124880589 SID: 124880592 SID: 144203735 SID: 144211340 SID: 170464649 SID: 174007196 SID: 26719660 SID: 26747053 SID: 50104195 SID: 50104197 SID: 56422192 SID: 57287635 SID: 85231117 SID: 855954 SID: 90341606
Wikipedia Lansoprazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL480



ACToR 103577-45-3
BindingDB 47032
Brenda 4413
ChEBI 6375
ChemicalBook CB6396972
DrugBank DB00448
DrugCentral 1547
eMolecules 902018
EPA CompTox Dashboard DTXSID4023200
Guide to Pharmacology 7208
Human Metabolome Database HMDB0005008
IBM Patent System 71A614A79EF600F554F84CC73D7A8AE9
LINCS LSM-5064
Mcule MCULE-8446262134
MolPort MolPort-003-666-508
NIH Clinical Collection SAM001246544
Nikkaji J126.212B
PharmGKB PA450180
PubChem 3883
PubChem: Drugs of the Future 12013895
PubChem: Thomson Pharma 14852955
Selleck Lansoprazole
SureChEMBL SCHEMBL22365

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