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Compound Detail

CHEMBL595825

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Cc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1

Basic Information

ChEMBL ID CHEMBL595825
Phase Preclinical
Structure Type MOL
InChI Key BESWQYUOFDGBAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
4.17
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O2
MW 316.36
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 7
CHEMBL3879
IC50 7.29 7.29 51.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20005101 10.1016/j.bmcl.2009.11.070 Metabotropic glutamate receptor 7 1

Data from ChEMBL 36 via Core Engine