Details of the Drug

General Information of Drug (ID: DMVMT26)

Drug Name	PMID25399762-Compound-Table1-C9
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	289.69
	Logarithm of the Partition Coefficient (xlogp)	3.1
	Rotatable Bond Count (rotbonds)	2
	Hydrogen Bond Donor Count (hbonddonor)	2
	Hydrogen Bond Acceptor Count (hbondacc)	3
Chemical Identifiers	Formula C14H9ClFN3O IUPAC Name N-(3-chloro-4-fluorophenyl)-1H-indazole-5-carboxamide Canonical SMILES C1=CC2=C(C=C1C(=O)NC3=CC(=C(C=C3)F)Cl)C=NN2 InChI InChI=1S/C14H9ClFN3O/c15-11-6-10(2-3-12(11)16)18-14(20)8-1-4-13-9(5-8)7-17-19-13/h1-7H,(H,17,19)(H,18,20) InChIKey IMFUMEKCOMLOPY-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 77844663 TTD ID D06EIP

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.