Details of the Drug

General Information of Drug (ID: DMMP8TR)

• Drug Name: (2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE
• Synonyms: (2s)-2-(Butyryloxy)-3-Hydroxypropyl Nonanoate; (2S)-2-(butanoyloxy)-3-hydroxypropyl nonanoate; B3H; AC1L9LSC; DB07416; [(2S)-2-butanoyloxy-3-hydroxypropyl] nonanoate

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 302.41
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 15
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C16H30O5
  IUPAC Name: [(2S)-2-butanoyloxy-3-hydroxypropyl] nonanoate
  Canonical SMILES: CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC
  InChI: InChI=1S/C16H30O5/c1-3-5-6-7-8-9-11-15(18)20-13-14(12-17)21-16(19)10-4-2/h14,17H,3-13H2,1-2H3/t14-/m0/s1
  InChIKey: JCEXPOMAGTUEEX-AWEZNQCLSA-N
• Cross-matching ID:
  PubChem CID: 448271
  DrugBank ID: DB07416
  TTD ID: D08KCZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel (VGKC)	TTYOMFZ	NOUNIPROTAC	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.