Details of the Drug

General Information of Drug (ID: DMVKO9C)

Drug Name
PMID25522065-Compound-12
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 468.9
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C24H25ClN4O4
IUPAC Name
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[3-[2-methyl-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]methanone
Canonical SMILES
CC1=C(C=CC(=C1)CN2CCOCC2)OC3CN(C3)C(=O)C4=NN=C(O4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H25ClN4O4/c1-16-12-17(13-28-8-10-31-11-9-28)2-7-21(16)32-20-14-29(15-20)24(30)23-27-26-22(33-23)18-3-5-19(25)6-4-18/h2-7,12,20H,8-11,13-15H2,1H3
InChIKey
PGIWDCQJRFXKTN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56597688
TTD ID
D03TCR

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.