Details of the Drug

General Information of Drug (ID: DMF5D1N)

Drug Name
Butylphosphonate
Synonyms
Dibutyl phosphite; Dibutyl phosphonate; Phosphonic acid, dibutyl ester; Dibutoxyphosphine oxide; Mobil DBHP; Dibutyl hydrogen phosphonate; Di-n-butyl hydrogen phosphite; Dibutylfosfit; Phosphorous acid, dibutyl ester; Butyl phosphonate ((BuO)2HPO); Butyl alcohol, hydrogen phosphite; di-n-Butylphosphite; Dibutylfosfit [Czech]; NSC 2668; Dibutyl phosphite (VAN); Phosphonic Acid Dibutyl Ester; UNII-R149712Z1F; HSDB 2597; Dibutyl hydrogen phosphite (VAN); EINECS 217-316-1; R149712Z1F; Phosphorous acid, dibutyl ester (VAN); BRN 10997
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) 138.1
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H11O3P
IUPAC Name
butylphosphonic acid
Canonical SMILES
CCCCP(=O)(O)O
InChI
InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKey
UOKRBSXOBUKDGE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
76839
ChEBI ID
CHEBI:41384
CAS Number
3321-64-0
DrugBank ID
DB03999
TTD ID
D05JYE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lipase unspecific (LIP) TT3GKN5 NOUNIPROTAC 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.