Details of the Drug

General Information of Drug (ID: DMPFLGO)

Drug Name	PMID25399762-Compound-Table1-C2
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	307.13
	Logarithm of the Partition Coefficient (xlogp)	2.9
	Rotatable Bond Count (rotbonds)	2
	Hydrogen Bond Donor Count (hbonddonor)	2
	Hydrogen Bond Acceptor Count (hbondacc)	3
Chemical Identifiers	Formula C13H8Cl2N4O IUPAC Name N-(5,6-dichloropyridin-3-yl)-1H-indazole-5-carboxamide Canonical SMILES C1=CC2=C(C=C1C(=O)NC3=CC(=C(N=C3)Cl)Cl)C=NN2 InChI InChI=1S/C13H8Cl2N4O/c14-10-4-9(6-16-12(10)15)18-13(20)7-1-2-11-8(3-7)5-17-19-11/h1-6H,(H,17,19)(H,18,20) InChIKey JLABGNSHSHVIHC-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 77844666 TTD ID D0K2LB

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.