Details of the Drug

General Information of Drug (ID: DMPEXTB)

• Drug Name: 7,9-tetradecadiynoic acid
• Synonyms: 7,9-tetradecadiynoic acid; CHEMBL501307; 7,9-Tetradecadiyneoic acid; Tetradecan-7,9-diynoic acid; LMFA01031094; BDBM50292399

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 220.31
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H20O2
  IUPAC Name: tetradeca-7,9-diynoic acid
  Canonical SMILES: CCCCC#CC#CCCCCCC(=O)O
  InChI: InChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-4,9-13H2,1H3,(H,15,16)
  InChIKey: UDDQRZKIDJCZJF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14309406
  TTD ID: D09EBV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HMG-CoA reductase (HMGCR)	TTPADOQ	HMDH_HUMAN	Inhibitor	[1]

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
HMG-CoA reductase (HMGCR)	DTT	HMGCR	1.01E-05	0.65	1.53

References

• [1] Novel Acetylenic Acids from the Root Bark of Paramacrolobium caeruleum: Inhibitors of 3-Hydroxy-3-methyl-glutaryl Coenzyme A Reductase J. Nat. Prod. 52(1):153-161 (1989).