Details of the Drug

General Information of Drug (ID: DMNJXHF)

Drug Name
Monoisopropyl Ester Phosphonic Acid Group
Synonyms AC1NAQP0; MONOISOPROPYL ESTER PHOSPHONIC ACID GROUP; propan-2-yloxyphosphinic acid; SCHEMBL333601; Phosphonic acid isopropyl ester; AC1O4B47; ZINC5381386
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) 123.07
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C3H8O3P+
IUPAC Name
hydroxy-oxo-propan-2-yloxyphosphanium
Canonical SMILES
CC(C)O[P+](=O)O
InChI
InChI=1S/C3H7O3P/c1-3(2)6-7(4)5/h3H,1-2H3/p+1
InChIKey
XZSFYYSNTQXWBM-UHFFFAOYSA-O
Cross-matching ID
PubChem CID
6383950
TTD ID
D0NL4Z

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]
Cytomegalovirus Protease (CMV UL80) TT5DOVB SCAF_HCMVA 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.