Details of the Drug

General Information of Drug (ID: DMWALOT)

Drug Name	PMID25522065-Compound-41
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 1	Molecular Weight (mw)	510
	Logarithm of the Partition Coefficient (xlogp)	4.2
	Rotatable Bond Count (rotbonds)	7
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	7
Chemical Identifiers	Formula C26H24ClN3O4S IUPAC Name 6-(4-chlorophenyl)-3-[3-methoxy-4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]thieno[3,2-d]pyrimidin-4-one Canonical SMILES COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OCCN5CC6(C5)COC6 InChI InChI=1S/C26H24ClN3O4S/c1-32-22-10-19(6-7-21(22)34-9-8-29-12-26(13-29)14-33-15-26)30-16-28-20-11-23(35-24(20)25(30)31)17-2-4-18(27)5-3-17/h2-7,10-11,16H,8-9,12-15H2,1H3 InChIKey RYWKRAVYOFTFPJ-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 70982502 TTD ID D0GH0Z

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.