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]

• ATC Code:
  L01XX16: MGBG
  L01XX: Other antineoplastic agents
  L01X: OTHER ANTINEOPLASTIC AGENTS
  L01: ANTINEOPLASTIC AGENTS
  L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
• Drug Type: Small molecular drug
• #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
  UNII: OD5Q0L447W
  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]

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

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.