Details of the Drug

General Information of Drug (ID: DMTJZQK)

Drug Name
pristanic acid
Synonyms
UNII-6P06977L1A; 6P06977L1A; (2S,6R,10R)-2,6,10,14-tetramethylpentadecanoic acid; L,d,D-pristanic acid; GTPL2676; Pristanic acid, (2S,6R,10R)-; UNII-5FMQ2908AP component PAHGJZDQXIOYTH-KURKYZTESA-N; Pentadecanoic acid, 2,6,10,14-tetramethyl-, (2S,6R,10R)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 298.5
Logarithm of the Partition Coefficient (xlogp) 8
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H38O2
IUPAC Name
2,6,10,14-tetramethylpentadecanoic acid
Canonical SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)O
InChI
InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)
InChIKey
PAHGJZDQXIOYTH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
123929
ChEBI ID
CHEBI:51340
CAS Number
1189-37-3
TTD ID
D0EN7T

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 Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2676).
2 Pristanic acid and phytanic acid: naturally occurring ligands for the nuclear receptor peroxisome proliferator-activated receptor alpha. J Lipid Res. 2000 Nov;41(11):1801-7.