General Information of Drug (ID: DMT4XJM)

Drug Name
ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE
Synonyms Ethyl Hydrogen Diethylamidophosphate; SCHEMBL3141511; diethylamino(ethoxy)phosphinic acid; DB08658; N,N-Diethylamidophosphoric acid hydrogen ethyl ester
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) 181.17
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H16NO3P
IUPAC Name
ethoxy-N,N-diethylphosphonamidic acid
Canonical SMILES
CCN(CC)P(=O)(O)OCC
InChI
InChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9)
InChIKey
DUNFIZRDIMDMIH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15083623
DrugBank ID
DB08658
TTD ID
D03UCC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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