Details of the Drug

General Information of Drug (ID: DMND2AS)

Drug Name
Diisopropylphosphono Group
Synonyms
Diisopropyl phosphonate; Phosphonic acid, bis(1-methylethyl) ester; Diisopropylphosphine oxide; Phosphonic acid, diisopropyl ester; O,O-Diisopropyl phosphonate; Isopropyl phosphonate; Diisopropyl hydrogen phosphonate; Isopropyl phosphonate ((C3H7O)2HPO); Diisopropylphosphonate; DIISOPROPYLPHOSPHONO GROUP; NSC 82344; O,O-Diisopropyl phosphite; bis(propan-2-yl) phosphonate; BLKXLEPPVDUHBY-UHFFFAOYSA-N; EINECS 217-317-7; BRN 1703675; diisopropylphosponate; di-i-Propylphosphite; AC1O3FKK; diisopropoxy(oxo)phosphonium
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) 165.15
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H14O3P+
IUPAC Name
oxo-di(propan-2-yloxy)phosphanium
Canonical SMILES
CC(C)O[P+](=O)OC(C)C
InChI
InChI=1S/C6H14O3P/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3/q+1
InChIKey
BJLZAAWLLPMZQR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6327350
CAS Number
1809-20-7
UNII
676G4RQ6ND
DrugBank ID
DB04491
TTD ID
D03FDC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dipeptidyl peptidase 4 (DPP-4) TTDIGC1 DPP4_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
Dipeptidyl peptidase 4 (DPP-4) DTT DPP4 9.54E-01 -0.27 -1.85
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.