Details of the Drug

General Information of Drug (ID: DMLQ3PO)

Drug Name
INCB13739
Synonyms
Phenylarsine oxide; phenylarsine oxide; Oxophenylarsine; 637-03-6; Arzene; Phenylarsenoxide; Arsenosobenzene; ARSINE, OXOPHENYL-; Phenyl arsine oxide; Benzene, arsenoso-; arsorosobenzene; Fenylarsinoxid; Caswell No 060; Fenylarsinoxid [Czech]; C6H5AsO; Phenyl arsenoxide; UNII-0HUR2WY345; PAO; EINECS 211-275-3; NSC 42470; EPA Pesticide Chemical Code 007101; BRN 2935227; 0HUR2WY345; CHEBI:75253; MFCD00001990; Phenylarsine oxide, 97%; Phenylarsine Oxide Solution; oxo(phenyl)arsan; Phenylarsinoxyd; oxo(phenyl)arsine; oxo(phenyl)arsane; PhAsO; phenylarsenious
Indication
Disease Entry ICD 11 Status REF
Type-2 diabetes 5A11 Phase 2a [1]
Diabetic complication 5A2Y Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 398.9
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H27ClN2O3S
IUPAC Name
1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
Canonical SMILES
CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCCCC3
InChI
InChI=1S/C19H27ClN2O3S/c1-14-17(20)10-5-11-18(14)26(24,25)22-12-6-7-15(13-22)19(23)21-16-8-3-2-4-9-16/h5,10-11,15-16H,2-4,6-9,12-13H2,1H3,(H,21,23)
InChIKey
ODRPEKCTTLECBX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11502183
DrugBank ID
DB05064
TTD ID
D05XLO
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1) TTN7BL9 DHI1_HUMAN Inhibitor [2]
Protein tyrosine phosphatase (PTP) TTWC6MY NOUNIPROTAC Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Type-2 diabetes
ICD Disease Classification 5A11
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1) DTT HSD11B1 2.03E-01 -0.01 -0.08
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00698230) Safety and Efficacy of INCB013739 Plus Metformin Compared to Metformin Alone on Glycemic Control in Type 2 Diabetics. U.S. National Institutes of Health.
2 Incyte's Selective Oral Inhibitor Of 11beta-HSD1 Demonstrates Improvements In Insulin Sensitivity And Lowers Cholesterol Levels In Type 2 Diabetics. Incyte. 2008.
3 Induction of endothelial cell surface adhesion molecules by tumor necrosis factor is blocked by protein tyrosine phosphatase inhibitors: role of the nuclear transcription factor NF-kappa B. Eur J Immunol. 1997 Sep;27(9):2172-9.