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Compound Detail

CHEMBL304285

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CC(C)O/C(=C\n1cncn1)c1ccc(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL304285
Phase Preclinical
Structure Type MOL
InChI Key AZGZZCSYRASLDM-MLPAPPSSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
3.97
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.80
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 C13H13Cl2N3O
MW 298.17
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.25

Activity Summary

IC50 2 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 5.22 5.08 6000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10465539 10.1016/s0960-894x(99)00346-7 Metabotropic glutamate receptor 2 1
17964783 10.1016/j.bmcl.2007.10.026 Metabotropic glutamate receptor 2 1

Data from ChEMBL 36 via Core Engine