Details of the Drug

General Information of Drug (ID: DM096SI)

Drug Name
Methyl Phosphinic Acid
Synonyms METHYL PHOSPHINIC ACID; AC1MQ62K; AC1O4J1T; hydroxy-methyl-oxophosphanium; CTK4I5667; AKOS006290593; DB02845; Phosphinic acid,methyl- (7CI,8CI,9CI)
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 79.015
Logarithm of the Partition Coefficient (xlogp) -0.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
CH4O2P+
IUPAC Name
hydroxy-methyl-oxophosphanium
Canonical SMILES
C[P+](=O)O
InChI
InChI=1S/CH3O2P/c1-4(2)3/h1H3/p+1
InChIKey
OFSFQGSFEXXHNH-UHFFFAOYSA-O
Cross-matching ID
PubChem CID
6369390
CAS Number
4206-94-4
DrugBank ID
DB02845
TTD ID
D0J4QH

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]
Cholinesterase (BCHE) TTEB0GD CHLE_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
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.