Details of the Drug

General Information of Drug (ID: DMXRI5J)

Drug Name	PMID25522065-Compound-47
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	446.9
	Logarithm of the Partition Coefficient (xlogp)	4.4
	Rotatable Bond Count (rotbonds)	6
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C25H19ClN2O4 IUPAC Name 1-[[4-[2-(4-chlorophenyl)-4-oxofuro[3,2-c]pyridin-5-yl]-2-methoxyphenoxy]methyl]cyclopropane-1-carbonitrile Canonical SMILES COC1=C(C=CC(=C1)N2C=CC3=C(C2=O)C=C(O3)C4=CC=C(C=C4)Cl)OCC5(CC5)C#N InChI InChI=1S/C25H19ClN2O4/c1-30-23-12-18(6-7-21(23)31-15-25(14-27)9-10-25)28-11-8-20-19(24(28)29)13-22(32-20)16-2-4-17(26)5-3-16/h2-8,11-13H,9-10,15H2,1H3 InChIKey RMJJVTXKEKNHEK-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 72198297 TTD ID D0DB8G

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melanin-concentrating hormone receptor 1 (MCHR1)	TTX4RTB	MCHR1_HUMAN	Antagonist	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Melanin-concentrating hormone receptor 1 (MCHR1)	DTT	MCHR1	6.98E-01	-0.01	-0.04

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Novel MCH1 receptor antagonists: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):193-207.