Details of the Drug

General Information of Drug (ID: DMRZMH5)

Drug Name
PMID25522065-Compound-21
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 427.9
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C22H26ClN5O2
IUPAC Name
4-[(5-chloropyridin-2-yl)methoxy]-1-[6-[2-(diethylamino)ethylamino]pyridin-3-yl]pyridin-2-one
Canonical SMILES
CCN(CC)CCNC1=NC=C(C=C1)N2C=CC(=CC2=O)OCC3=NC=C(C=C3)Cl
InChI
InChI=1S/C22H26ClN5O2/c1-3-27(4-2)12-10-24-21-8-7-19(15-26-21)28-11-9-20(13-22(28)29)30-16-18-6-5-17(23)14-25-18/h5-9,11,13-15H,3-4,10,12,16H2,1-2H3,(H,24,26)
InChIKey
QZSXDTLVUJGVDX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49793259
TTD ID
D0DN8Z

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.