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]
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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

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]

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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.