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
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 163.17
Logarithm of the Partition Coefficient (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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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