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Compound Detail

CHEMBL66701

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CCCCO/C(=C\n1ncnn1)c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL66701
Phase Preclinical
Structure Type MOL
InChI Key KUVSMUPNINYCGZ-LCYFTJDESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.7
MW (Da)
3.10
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15ClN4O
MW 278.74
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL2851
IC50 5.5 5.5 3160.0 1

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

Data from ChEMBL 36 via Core Engine