Details of the Drug

General Information of Drug (ID: DMXE8CB)

Drug Name
N1-guanyl-1,7-diaminoheptane
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 174.29
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 0
Chemical Identifiers
Formula
C8H22N4+2
IUPAC Name
7-azaniumylheptyl(diaminomethylidene)azanium
Canonical SMILES
C(CCC[NH3+])CCC[NH+]=C(N)N
InChI
InChI=1S/C8H20N4/c9-6-4-2-1-3-5-7-12-8(10)11/h1-7,9H2,(H4,10,11,12)/p+2
InChIKey
YAOAMZOGXBMLFQ-UHFFFAOYSA-P
Cross-matching ID
PubChem CID
90657844
TTD ID
D0FI8L

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Deoxyhypusine synthase (DHPS) TTBO2A9 DHYS_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Effects of N1-guanyl-1,7-diaminoheptane, an inhibitor of deoxyhypusine synthase, on the growth of tumorigenic cell lines in culture. Biochim Biophys Acta. 1996 Jan 10;1310(1):119-26.