Details of the Drug

General Information of Drug (ID: DMJMCKD)

Drug Name
PMID25522065-Compound-8
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 411.5
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C26H25N3O2
IUPAC Name
1-(3-methyl-3,12-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
Canonical SMILES
CN1C2=C(C=CC(=C2)N3C=CC(=CC3=O)OCC4=CC=CC=C4)C5=C1C6CCN(C6)C5
InChI
InChI=1S/C26H25N3O2/c1-27-24-13-20(7-8-22(24)23-16-28-11-9-19(15-28)26(23)27)29-12-10-21(14-25(29)30)31-17-18-5-3-2-4-6-18/h2-8,10,12-14,19H,9,11,15-17H2,1H3
InChIKey
UPOGSKZLDRHZBU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49836016
TTD ID
D07MJJ

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.