Details of the Drug

General Information of Drug (ID: DMR0P1U)

Drug Name	PMID25399762-Compound-Table1-C15
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	319.2
	Logarithm of the Partition Coefficient (xlogp)	4.1
	Rotatable Bond Count (rotbonds)	2
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	1
Chemical Identifiers	Formula C16H12Cl2N2O IUPAC Name N-(3,4-dichlorophenyl)-1-methylindole-5-carboxamide Canonical SMILES CN1C=CC2=C1C=CC(=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl InChI InChI=1S/C16H12Cl2N2O/c1-20-7-6-10-8-11(2-5-15(10)20)16(21)19-12-3-4-13(17)14(18)9-12/h2-9H,1H3,(H,19,21) InChIKey XHTKCMHMWMUSIE-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 77844717 TTD ID D08YYW

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.