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
  Logarithm of the Partition Coefficient (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
  ChEBI ID: CHEMBL4104691
  TTD ID: D0UL2R
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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

• [1] Novel monoamine oxidase inhibitors: a patent review (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):91-110.