Details of the Drug

General Information of Drug (ID: DMITNWZ)

Drug Name	PMID25399762-Compound-Table1-C20
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#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 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]

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Molecular Interaction Atlas (MIA)

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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

Molecular Expression Atlas (MEA)

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References

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