Details of the Drug

General Information of Drug (ID: DMONYS9)

Drug Name
MBX-102
Synonyms
Arhalofenate; Mbx-102; MBX 102; 24136-23-0; UNII-1P01UJR9X1; JNJ-39659100; 1P01UJR9X1; CB-102; M-102; Arhalofenate [USAN:INN]; Arhalofenate (USAN/INN); SCHEMBL3302781; CHEMBL2103824; BJBCSGQLZQGGIQ-QGZVFWFLSA-N; ZINC2012859; BDBM50093473; AKOS032945719; DB11811; CS-6812; SB16866; (-)-2-(Acetylamino)ethyl (2R)-(4-chlorophenyl)(3-(trifluoromethyl)phenoxy)acetate; CJ-31172; Benzeneacetic acid, 4-chloro-alpha-(3-(trifluoromethyl)phenoxy)-, 2-(acetylamino)ethyl ester, (-)-; HY-14831; D09579; UNII-K9TZK4MNO6 component BJBCSGQLZQGGIQ-QGZV
Indication
Disease Entry ICD 11 Status REF
Gout FA25 Phase 2/3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 415.8
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C19H17ClF3NO4
IUPAC Name
2-acetamidoethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate
Canonical SMILES
CC(=O)NCCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)OC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1
InChIKey
BJBCSGQLZQGGIQ-QGZVFWFLSA-N
Cross-matching ID
PubChem CID
12082259
ChEBI ID
CHEMBL2103824
CAS Number
24136-23-0
UNII
1P01UJR9X1
DrugBank ID
DB11811
TTD ID
D0X7VB
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Peroxisome proliferator-activated receptor gamma (PPAR-gamma) TTZMAO3 PPARG_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Gout
ICD Disease Classification FA25
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Peroxisome proliferator-activated receptor gamma (PPAR-gamma) DTT PPARG 2.41E-01 -0.06 -0.25
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00353587) Safety and Efficacy Study of Metaglidasen in Type 2 Diabetes in Patients Suboptimally Controlled on Insulin. U.S. National Institutes of Health.
2 MBX-102/JNJ39659100, a novel peroxisome proliferator-activated receptor-ligand with weak transactivation activity retains antidiabetic properties in the absence of weight gain and edema. Mol Endocrinol. 2009 Jul;23(7):975-88.