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Compound Detail

CHEMBL572346

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COc1ccc(NC(=O)c2ccccn2)cc1OC

Basic Information

ChEMBL ID CHEMBL572346
Phase Preclinical
Structure Type MOL
InChI Key MUFYBHIXCJGGTP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.35
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O3
MW 258.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.55

Activity Summary

EC50 2 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 4
CHEMBL2787
EC50 5.62 5.62 2400.0 1
Unchecked
CHEMBL612545
EC50 4.37 4.37 42693.0 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