Details of the Drug

General Information of Drug (ID: DM7ZI8A)

Drug Name
BM-17.0744
Synonyms K-111; 12-(4-Chlorophenyl)-2,2-dichlorododecanoic acid
Indication
Disease Entry ICD 11 Status REF
Type-1 diabetes 5A10 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 379.7
Logarithm of the Partition Coefficient (xlogp) 8
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H25Cl3O2
IUPAC Name
2,2-dichloro-12-(4-chlorophenyl)dodecanoic acid
Canonical SMILES
C1=CC(=CC=C1CCCCCCCCCCC(C(=O)O)(Cl)Cl)Cl
InChI
InChI=1S/C18H25Cl3O2/c19-16-12-10-15(11-13-16)9-7-5-3-1-2-4-6-8-14-18(20,21)17(22)23/h10-13H,1-9,14H2,(H,22,23)
InChIKey
GPCJDSXBRMKASP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9929731
CAS Number
221564-97-2
TTD ID
D0Q8UU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Peroxisome proliferator-activated receptor alpha (PPARA) TTJ584C PPARA_HUMAN Activator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Type-1 diabetes
ICD Disease Classification 5A10
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Peroxisome proliferator-activated receptor alpha (PPARA) DTT PPARA 1.74E-01 -0.17 -0.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800011739)
2 Cardiac function and metabolism in Type 2 diabetic mice after treatment with BM 17.0744, a novel PPAR-alpha activator. Am J Physiol Heart Circ Physiol. 2002 Sep;283(3):H949-57.