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

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
2	Synergistic effect of acidosis and succinylcholine-induced hyperkalemia in spinal cord transected rats. Acta Anaesthesiol Scand. 1984 Feb;28(1):87-90.
3	Bis-(-)-nor-meptazinols as novel nanomolar cholinesterase inhibitors with high inhibitory potency on amyloid-beta aggregation. J Med Chem. 2008 Apr 10;51(7):2027-36.
4	Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. J Med Chem. 2006 Apr 6;49(7):2174-85.
5	Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine. Bioorg Med Chem. 2010 Jul 1;18(13):4687-93.
6	Acetylcholinesterase-Fc Fusion Protein (AChE-Fc): A Novel Potential Organophosphate Bioscavenger with Extended Plasma Half-Life. Bioconjug Chem. 2015 Aug 19;26(8):1753-8.
7	In vitro and in vivo characterization of recombinant human butyrylcholinesterase (Protexia) as a potential nerve agent bioscavenger. Chem Biol Interact. 2005 Dec 15;157-158:363-5.
8	Dehydroevodiamine attenuates beta-amyloid peptide-induced amnesia in mice. Eur J Pharmacol. 2001 Feb 16;413(2-3):221-5.
9	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
10	A patent review of butyrylcholinesterase inhibitors and reactivators 2010-2017.Expert Opin Ther Pat. 2018 Jun;28(6):455-465.