Details of the Drug

General Information of Drug (ID: DMONJLT)

Drug Name
PMID25522065-Compound-45
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 435.6
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C26H33N3O3
IUPAC Name
4-(cyclopropylmethoxy)-N-[2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1,4-dimethylindol-5-yl]benzamide
Canonical SMILES
CC1=C(C=CC2=C1C=C(N2C)CNCC(C)(C)O)NC(=O)C3=CC=C(C=C3)OCC4CC4
InChI
InChI=1S/C26H33N3O3/c1-17-22-13-20(14-27-16-26(2,3)31)29(4)24(22)12-11-23(17)28-25(30)19-7-9-21(10-8-19)32-15-18-5-6-18/h7-13,18,27,31H,5-6,14-16H2,1-4H3,(H,28,30)
InChIKey
LYUFDXWEPKVSLW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
53303548
TTD ID
D0TK2N

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.