Details of the Drug

General Information of Drug (ID: DM9J5IS)

Drug Name
Isopentyl Pyrophosphate
Synonyms
ISOPENTYL PYROPHOSPHATE; AC1L9LX1; SCHEMBL155704; IPFXNYPSBSIFOB-UHFFFAOYSA-N; ZINC2579357; 3-methylbutyl trihydrogen diphosphate; DB02508; Diphosphoric acid alpha-isopentyl ester; 3-methylbutyl phosphono hydrogen phosphate; Diphosphoric acid, P,P-bis(3-methylbutyl) ester
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) 248.11
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C5H14O7P2
IUPAC Name
3-methylbutyl phosphono hydrogen phosphate
Canonical SMILES
CC(C)CCOP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C5H14O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKey
IPFXNYPSBSIFOB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
448400
DrugBank ID
DB02508
TTD ID
D05DDS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Geranyltranstransferase (FDPS) TTIKWV4 FPPS_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
Geranyltranstransferase (FDPS) DTT FDPS 7.06E-03 -0.73 -2.57
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.