Details of the Drug

General Information of Drug (ID: DMZF0D3)

Drug Name
1-(2-morpholinoethyl)-1H-indol-3-yl acetate
Synonyms CHEMBL495249
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 288.34
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H20N2O3
IUPAC Name
[1-(2-morpholin-4-ylethyl)indol-3-yl] acetate
Canonical SMILES
CC(=O)OC1=CN(C2=CC=CC=C21)CCN3CCOCC3
InChI
InChI=1S/C16H20N2O3/c1-13(19)21-16-12-18(15-5-3-2-4-14(15)16)7-6-17-8-10-20-11-9-17/h2-5,12H,6-11H2,1H3
InChIKey
WNJZFVIJUKGTLU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24851127
TTD ID
D0GS1B

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 1 (CB1) TT6OEDT CNR1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 1 (CB1) DTT CNR1 5.59E-02 -0.22 -0.45
Cannabinoid receptor 1 (CB1) DTT CNR1 7.68E-01 -0.06 -0.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and cannabinoid activity of 1-substituted-indole-3-oxadiazole derivatives: novel agonists for the CB1 receptor. Eur J Med Chem. 2008 Mar;43(3):513-39.