Details of the Drug

General Information of Drug (ID: DMW0J3D)

Drug Name
Ethyl Dihydrogen Phosphate
Synonyms
Ethyl dihydrogen phosphate; Monoethyl phosphate; O-Ethyl dihydrogen phosphate; Monoethyl acid phosphate; 1623-14-9; ethylphosphate; Ethyl phosphate, mono-; PHOSPHORIC ACID, MONOETHYL ESTER; UNII-BMH1WT204A; Phosphoric acid monoethyl ester; EINECS 216-603-9; Phosphoric Acid Ethyl Ester; BRN 1702252; BMH1WT204A; AI3-15046; CHEBI:42383; EFS; ethanol-phosphate; mono-ethyl phosphate; ethoxyphosphonic acid; AC1L2LDP; ETHYLPHOSPHORIC ACID; Epitope ID:143619; AC1Q6S7W; SCHEMBL40792; CTK6G4379; Ethyl phosphate ((eto)(ho)2po)
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) 126.05
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C2H7O4P
IUPAC Name
ethyl dihydrogen phosphate
Canonical SMILES
CCOP(=O)(O)O
InChI
InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)
InChIKey
ZJXZSIYSNXKHEA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
74190
ChEBI ID
CHEBI:42383
CAS Number
1623-14-9
DrugBank ID
DB03822
TTD ID
D07MNG

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