Details of the Drug

General Information of Drug (ID: DMITNWZ)

• Drug Name: PMID25399762-Compound-Table1-C20
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 364.2
  Topological Polar Surface Area (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H15Cl2N3O2
  IUPAC Name: N-(3,4-dichlorophenyl)-1-(2-methoxyethyl)indazole-5-carboxamide
  Canonical SMILES: COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C=N1
  InChI: InChI=1S/C17H15Cl2N3O2/c1-24-7-6-22-16-5-2-11(8-12(16)10-20-22)17(23)21-13-3-4-14(18)15(19)9-13/h2-5,8-10H,6-7H2,1H3,(H,21,23)
  InChIKey: CTHLAPNHCMOVBE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 77844722
  TTD ID: D0UL2R

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

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

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• [7] Glyceraldehyde-3-phosphate dehydrogenase-monoamine oxidase B-mediated cell death-induced by ethanol is prevented by rasagiline and 1-R-aminoindan. Neurotox Res. 2009 Aug;16(2):148-59.
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