Details of the Drug

General Information of Drug (ID: DMVE34H)

• Drug Name: (1r)-1,2,2-trimethylpropyl (r)-methylphosphinate
• Synonyms: GD7

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); 163.17
  Topological Polar Surface Area (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C7H16O2P+
  IUPAC Name: [(2R)-3,3-dimethylbutan-2-yl]oxy-methyl-oxophosphanium
  Canonical SMILES: C[C@H](C(C)(C)C)O[P+](=O)C
  InChI: InChI=1S/C7H16O2P/c1-6(7(2,3)4)9-10(5)8/h6H,1-5H3/q+1/t6-/m1/s1
  InChIKey: AYQIEWWYFGQKPK-ZCFIWIBFSA-N
• Cross-matching ID:
  PubChem CID: 52947808
  DrugBank ID: DB07821
  TTD ID: D0Y8RM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Liver carboxylesterase (CES1)	TTMF541	EST1_HUMAN	Inhibitor	[1]
Platelet-activating factor acetylhydrolase (PLA2G7)	TTDNFMT	PAFA_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
Platelet-activating factor acetylhydrolase (PLA2G7)	DTT	PLA2G7	5.33E-03	0.09	0.23

References

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