General Information of the Compound
Compound ID
CP0391075
Compound Name
Dexilant
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Synonyms
Kapidex
(R)-2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
(R)-Lansoprazole
(r)-(+)-lansoprazole
138530-94-6
2-((R)-((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole
2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole
AK170558
Dexilant Solutab
Dexlansoprazole
Dexlansoprazole (INN/USAN)
KS-1075
Kapidex
Lansoprazole
R-(+)-LANSOPRAZOLE
T 168390
T-168390
TAK 390
TAK-390
TAK-390MR
UNII-UYE4T5I70X
UYE4T5I70X
dexilant
dexlansoprazole
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Structure
Formula
C16H14F3N3O2S
Molecular Weight
369.368
Canonical SMILES
Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1
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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
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InChIKey
MJIHNNLFOKEZEW-RUZDIDTESA-N
CAS
138530-94-6
Physicochemical Property
logP
3.51522
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
73.86
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9578005
SID: 14901842
ChEMBL ID
CHEMBL1201863
DrugBank ID
DB05351
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02089, Cytosolic endo-beta-N-acetylglucosaminidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 25000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06480, NAD(+) hydrolase SARM1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000908 NRK1-HEK293T Homo sapiens (Human)  2
1
IC50 = 3300 nM
   TI
   LI
   LO
   TS
2
IC50 = 3500 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Dexlansoprazole )
Drug Name Dexlansoprazole
Company Takeda
Indication
Non-erosive gastro-esophageal reflux disease
Approved
Erosive esophagitis
Approved
Peptic ulcer
Approved
NSAID-associated gastric ulcer
Phase 3