Details of the Drug

General Information of Drug (ID: DM9GOT6)

Drug Name

MGBG

Synonyms

MITOGUAZONE; Methyl-Gag; 459-86-9; Methylglyoxal bis(guanylhydrazone); Me-GAG; Methylglyoxal bis(amidinohydrazone); Methyl-G; C5H12N8; Pyruvaldehyde bis(amidinohydrazone); Mitoguazonum; Mitoguazona; CHEMBL216913; CHEBI:43996; Methyl GAG; Mitoguazone [INN:DCF]; Mitoguazonum [INN-Latin]; MGGH; Mitoguazona [INN-Spanish]; (2E,2'E)-2,2'-(1E,2E)-propane-1,2-diylidenedihydrazinecarboximidamide; BRN 1912590; 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine

Indication

Disease Entry	ICD 11	Status	REF
Head and neck cancer	2D42	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

184.2

Logarithm of the Partition Coefficient (xlogp)

-2.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C5H12N8
IUPAC Name: 2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
Canonical SMILES: C/C(=N\\N=C(N)N)/C=N/N=C(N)N
InChI: InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+
InChIKey: MXWHMTNPTTVWDM-NXOFHUPFSA-N

Cross-matching ID

PubChem CID: 5351154
ChEBI ID: CHEBI:43996
CAS Number: 459-86-9
DrugBank ID: DB12967
TTD ID: D05FFR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
S-adenosylmethionine decarboxylase proenzyme (AMD1)	TTBFROQ	DCAM_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification

02 Neoplasm

Disease Class

ICD-11: 2C82 Prostate cancer

The Studied Tissue

Head and neck tissue

The Studied Disease

Head and neck cancer [ICD-11:2C82]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
S-adenosylmethionine decarboxylase proenzyme (AMD1)	DTT	AMD1	4.41E-05	0.37	0.61

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	S-adenosylmethionine decarboxylase as an enzyme target for therapy. Pharmacol Ther. 1992 Dec;56(3):359-77.
2	A phase I study of a new polyamine biosynthesis inhibitor, SAM486A, in cancer patients with solid tumours. Br J Cancer. 2000 Sep;83(5):594-601.