Details of the Drug

General Information of Drug (ID: DMPFG7H)

Drug Name
JNJ-16269110
Synonyms SCHEMBL803531; CHEMBL2103860
Indication
Disease Entry ICD 11 Status REF
Type-2 diabetes 5A11 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 572.6
Logarithm of the Partition Coefficient (xlogp) 7.5
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C34H31F3N2O3
IUPAC Name
methyl (2R)-2-phenyl-2-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-1-yl]acetate
Canonical SMILES
COC(=O)[C@@H](C1=CC=CC=C1)N2CCC(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C34H31F3N2O3/c1-42-33(41)31(26-7-3-2-4-8-26)39-21-19-24(20-22-39)23-13-17-28(18-14-23)38-32(40)30-10-6-5-9-29(30)25-11-15-27(16-12-25)34(35,36)37/h2-18,24,31H,19-22H2,1H3,(H,38,40)/t31-/m1/s1
InChIKey
WSYALRNYQFNNGP-WJOKGBTCSA-N
Cross-matching ID
PubChem CID
56842069
CAS Number
403989-79-7
DrugBank ID
DB12414
TTD ID
D0M5WS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Microsomal triglyceride transfer protein (MTTP) TTUS1RD MTP_HUMAN Inhibitor [1]
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
Microsomal triglyceride transfer protein (MTTP) DTT MTTP 9.76E-02 0.13 0.68
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00672386) A Study of the Safety and Effectiveness of a R256918 in Patients With Type 2 Diabetes. U.S. National Institutes of Health.