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
CAS Number: 24136-23-0
DrugBank ID: DB11811
TTD ID: D0X7VB

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)

MIA Detail

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)

MEA Detail

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.