Drug Information

Drug General Information
Drug ID
D02AYL
Former ID
DNC001088
Drug Name
PA-824
Drug Type
Small molecular drug
Indication Mycobacterium tuberculosis infection [ICD10:A15-A19] Phase 3 [525065]
Structure
Download
2D MOL

3D MOL
Formula
C14H12F3N3O5
Canonical SMILES
C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F
InChI
1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1
InChIKey
ZLHZLMOSPGACSZ-NSHDSACASA-N
CAS Number
CAS 187235-37-6
PubChem Compound ID
456199
PubChem Substance ID
602759, 11568219, 14754667, 56314347, 74512488, 92309397, 103516892, 109718929, 129919200, 134340334, 135143585, 136345878, 136348779, 136967299, 139347532, 144229765, 162223093, 162474735, 164046419, 164764023, 174006653, 174007389, 175426953, 179231147, 188889470, 196409666, 198982738, 210274726, 210280360, 223384013, 223554904, 223700553, 223705177, 223726250, 229040932, 241383546, 249855633, 250224263, 251971002, 252066562, 252434136, 252450233, 252553552
Target and Pathway
Target(s) Fatty acid synthase Target Info Inhibitor [536472]
BioCyc Pathway Fatty acid biosynthesis initiation
Fatty acid elongation -- saturated
Palmitate biosynthesis
KEGG Pathway Fatty acid biosynthesis
Metabolic pathways
Fatty acid metabolism
AMPK signaling pathway
Insulin signaling pathway
Pathway Interaction Database p73 transcription factor network
Validated transcriptional targets of deltaNp63 isoforms
PathWhiz Pathway Fatty Acid Biosynthesis
Reactome ChREBP activates metabolic gene expression
Activation of gene expression by SREBF (SREBP)
Fatty Acyl-CoA Biosynthesis
WikiPathways Fatty Acid Biosynthesis
Nuclear Receptors Meta-Pathway
Liver X Receptor Pathway
Activation of Gene Expression by SREBP (SREBF)
SREBF and miR33 in cholesterol and lipid homeostasis
SREBP signalling
Metabolism of water-soluble vitamins and cofactors
Integration of energy metabolism
Fatty acid, triacylglycerol, and ketone body metabolism
AMPK Signaling
References
Ref 525065ClinicalTrials.gov (NCT02342886) Shortening Treatment by Advancing Novel Drugs. U.S. National Institutes of Health.
Ref 536472Novel agents in the management of Mycobacterium tuberculosis disease. Curr Med Chem. 2007;14(18):2000-8.

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