Details of the Drug

General Information of Drug (ID: DM7X6HR)

Drug Name	PMID25522065-Compound-17
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	465.6
	Logarithm of the Partition Coefficient (xlogp)	4.5
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C26H27NO5S IUPAC Name (3R)-1-[3-methyl-4-(2-methylsulfonylethoxy)phenyl]-3-(4-phenylphenoxy)pyrrolidin-2-one Canonical SMILES CC1=C(C=CC(=C1)N2CC[C@H](C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)OCCS(=O)(=O)C InChI InChI=1S/C26H27NO5S/c1-19-18-22(10-13-24(19)31-16-17-33(2,29)30)27-15-14-25(26(27)28)32-23-11-8-21(9-12-23)20-6-4-3-5-7-20/h3-13,18,25H,14-17H2,1-2H3/t25-/m1/s1 InChIKey FNCUHIWLQCDGMI-RUZDIDTESA-N
Cross-matching ID	PubChem CID 89996639 TTD ID D0M9JM

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]

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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
Melanin-concentrating hormone receptor 1 (MCHR1)	DTT	MCHR1	6.98E-01	-0.01	-0.04

Molecular Expression Atlas (MEA)

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References

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