Details of the Drug

General Information of Drug (ID: DMCVKTB)

• Drug Name: (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE
• Synonyms: GD8

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); 180.18
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C7H17O3P
  IUPAC Name: [(2R)-3,3-dimethylbutan-2-yl]oxy-methylphosphinic acid
  Canonical SMILES: C[C@H](C(C)(C)C)OP(=O)(C)O
  InChI: InChI=1S/C7H17O3P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3,(H,8,9)/t6-/m1/s1
  InChIKey: BLALDUPQYCGKAG-ZCFIWIBFSA-N
• Cross-matching ID:
  PubChem CID: 16058619
  TTD ID: D07EMX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_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
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

References

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