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Compound Detail

CHEMBL561835

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COc1cc(NC(=O)c2ccccn2)ccc1C

Basic Information

ChEMBL ID CHEMBL561835
Phase Preclinical
Structure Type MOL
InChI Key MIPWAABDGPOHJQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
2.65
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O2
MW 242.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.78

Activity Summary

EC50 2 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 6.68 6.68 210.0 1
Metabotropic glutamate receptor 4
CHEMBL2736
EC50 6.25 6.25 560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19469556 10.1021/jm9005065 Metabotropic glutamate receptor 4 6

Data from ChEMBL 36 via Core Engine