Details of the Drug

General Information of Drug (ID: DMBG3ZF)

Drug Name

N-guanyl-1,7-diaminoheptane

Synonyms

2-(7-aminoheptyl)guanidine; 150333-69-0; CHEMBL229457; Guanidine, N-(7-aminoheptyl)-; 1-(7-aminoheptyl)guanidine; N1-Guanyl-1,7-diaminoheptane (GC7); AC1L9LWV; N-(7-Aminoheptyl)guanidine; N-Guanyl-1,7-heptanediamine; SCHEMBL433609; N-(7-Amino-heptyl)-guanidine; CTK8H0316; CHEBI:133366

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

172.27

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C8H20N4
IUPAC Name: 2-(7-aminoheptyl)guanidine
Canonical SMILES: C(CCCN)CCCN=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)
InChIKey: YAOAMZOGXBMLFQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 448393
ChEBI ID: CHEBI:133366
TTD ID: D08PKS

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Modification of eukaryotic initiation factor 5A from Plasmodium vivax by a truncated deoxyhypusine synthase from Plasmodium falciparum: An enzyme w... Bioorg Med Chem. 2007 Sep 15;15(18):6200-7.