Details of the Drug

General Information of Drug (ID: DMOT1LQ)

• Drug Name: 2-Hydrazino-3-methyl-4(3H)-quinazolinone
• Synonyms: 2-hydrazino-3-methylquinazolin-4(3H)-one; 61507-80-0; 2-Hydrazino-3-methyl-3H-quinazolin-4-one; 2-Hydrazino-3-methyl-4(3H)-quinazolinone; NSC657432; CHEMBL503552; 2-hydrazinyl-3-methylquinazolin-4(3H)-one; 2-hydrazinyl-3-methylquinazolin-4-one; BAS 00718750; 4(3H)-Quinazolinone,2-hydrazinyl-3-methyl-; 2-hydrazinyl-3-methyl-3,4-dihydroquinazolin-4-one; 2-hydrazino-3-methyl-3-hydroquinazolin-4-one; AC1Q6DRE; AC1L8CIY; AC1Q3XQM; 2-Hydrazino-3-methyl-3 H -quinazolin-4-one; Oprea1_318278; Oprea1_401830; MLS000713036; CTK5B3345

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 190.2
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H10N4O
  IUPAC Name: 2-hydrazinyl-3-methylquinazolin-4-one
  Canonical SMILES: CN1C(=O)C2=CC=CC=C2N=C1NN
  InChI: InChI=1S/C9H10N4O/c1-13-8(14)6-4-2-3-5-7(6)11-9(13)12-10/h2-5H,10H2,1H3,(H,11,12)
  InChIKey: BQDOAXFBKRUNTF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 376484
  CAS Number: 61507-80-0
  TTD ID: D02VIV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07

References

• [1] New pyrazoline bearing 4(3H)-quinazolinone inhibitors of monoamine oxidase: synthesis, biological evaluation, and structural determinants of MAO-A ... Bioorg Med Chem. 2009 Jan 15;17(2):675-89.