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
UNII
HKC30FCB7P
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.