Details of the Drug

General Information of Drug (ID: DMEMBOW)

Drug Name	PMID25522065-Compound-31
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	457.6
	Logarithm of the Partition Coefficient (xlogp)	4.7
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C28H31N3O3 IUPAC Name 2-(4-ethylphenyl)-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one Canonical SMILES CCC1=CC=C(C=C1)C2=NC3=C(CN(C3=O)C4=CC(=C(C=C4)OCCN5CCCC5)OC)C=C2 InChI InChI=1S/C28H31N3O3/c1-3-20-6-8-21(9-7-20)24-12-10-22-19-31(28(32)27(22)29-24)23-11-13-25(26(18-23)33-2)34-17-16-30-14-4-5-15-30/h6-13,18H,3-5,14-17,19H2,1-2H3 InChIKey JRDLEMTYNVKHFV-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 71719525 TTD ID D0C5RD

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.