Details of the Drug

General Information of Drug (ID: DM9MLQ6)

Drug Name
PMID25522065-Compound-24
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 511.7
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C26H29N3O4S2
IUPAC Name
1-[6-[[(1,1-dioxothian-4-yl)amino]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyridin-2-one
Canonical SMILES
CC1=CSC(=N1)COC2=CC(=O)N(C=C2)C3=CC4=C(CC3)C=C(C=C4)CNC5CCS(=O)(=O)CC5
InChI
InChI=1S/C26H29N3O4S2/c1-18-17-34-25(28-18)16-33-24-6-9-29(26(30)14-24)23-5-4-20-12-19(2-3-21(20)13-23)15-27-22-7-10-35(31,32)11-8-22/h2-3,6,9,12-14,17,22,27H,4-5,7-8,10-11,15-16H2,1H3
InChIKey
XVQJOVCBLFUQMO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71745113
TTD ID
D0T6UX

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.