Details of the Drug

General Information of Drug (ID: DMU5H4K)

Drug Name
RU78783
Synonyms
RU78783; (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID; (phenylmethanediyl)bis(phosphonic acid); [phenyl(phosphono)methyl]phosphonic acid; Fragment 8; 1o4r; benzylidenebisphosphonic acid; AC1L9KY6; SCHEMBL4094661; phenyl methane diphosphonic acid; CHEMBL148732; Phenylmethylenebisphosphonic acid; BDBM14678; FRLTXWJJMCIUNT-UHFFFAOYSA-N; phenyl(phosphono)methylphosphonic acid
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) 252.1
Logarithm of the Partition Coefficient (xlogp) -1.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C7H10O6P2
IUPAC Name
[phenyl(phosphono)methyl]phosphonic acid
Canonical SMILES
C1=CC=C(C=C1)C(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
InChIKey
FRLTXWJJMCIUNT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
447537
DrugBank ID
DB02908
TTD ID
D0M5RA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proto-oncogene c-Src (SRC) TT6PKBN SRC_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
Proto-oncogene c-Src (SRC) DTT SRC 6.45E-01 -0.08 -0.58
Proto-oncogene c-Src (SRC) DTT SRC 2.08E-03 -0.52 -1.62
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.