DEXLANSOPRAZOLE

Search structure
Trade Names:
Synonyms:
Status: Approved (2009)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A02BC06
UNII: UYE4T5I70X

Structure
InChI Key MJIHNNLFOKEZEW-RUZDIDTESA-N
Smile Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1
InChI
InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H14F3N3O2S
Molecular Weight 369.37
AlogP 3.52
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 67.87
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Potassium-transporting ATPase inhibitor PubMed PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 25000 - - -
Epigenetic regulator Reader Bromodomain
- 5700 - - -
Epigenetic regulator Reader Plant homeodomain
- 5700 - - -
Epigenetic regulator Writer Protein methyltransferase
- 5700 - - -
Other nuclear protein
- 5700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Esophagitis, Peptic 3 D004942 ClinicalTrials
Barrett Esophagus 2 D001471 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Renal and urinary disorders
42.03
Gastrointestinal disorders
10.3
General disorders and administration site conditions
9.54
Injury, poisoning and procedural complications
6.36
Nervous system disorders
4.42
Respiratory, thoracic and mediastinal disorders
3.49
Skin and subcutaneous tissue disorders
3.11
Musculoskeletal and connective tissue disorders
2.88
Vascular disorders
2.79
Cardiac disorders
2.68
Psychiatric disorders
2.41

Cross References

Resources Reference
CAS NUMBER 138530-94-6
ChEBI 135931
ChEMBL CHEMBL1201863
DrugBank DB05351
DrugCentral 4162
FDA SRS UYE4T5I70X
Guide to Pharmacology 5487
PharmGKB PA166110257
PubChem 9578005
SureChEMBL SCHEMBL44975
ZINC ZINC000003830986
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