Details of the Drug

General Information of Drug (ID: DMYTEAC)

Drug Name	PMID25399762-Compound-Table1-C16
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	303.72
	Logarithm of the Partition Coefficient (xlogp)	3.1
	Rotatable Bond Count (rotbonds)	2
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	3
Chemical Identifiers	Formula C15H11ClFN3O IUPAC Name N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide Canonical SMILES CN1C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C=N1 InChI InChI=1S/C15H11ClFN3O/c1-20-14-5-2-9(6-10(14)8-18-20)15(21)19-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,19,21) InChIKey ISZVIYGCASWHFG-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 77844718 TTD ID D0AF7J

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.