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Compound Detail

CHEMBL238344

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COc1cc(OC)cc(-c2cc3nc(C)ccc3cn2)c1

Basic Information

ChEMBL ID CHEMBL238344
Phase Preclinical
Structure Type MOL
InChI Key AWGMVVADCJSVIO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
3.62
ALogP
4
HBA
0
HBD
44.2
PSA (Ų)
0.73
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 C17H16N2O2
MW 280.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 5
CHEMBL2564
IC50 6.46 6.46 345.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17936624 10.1016/j.bmcl.2007.09.083 Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine