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Compound Detail

CHEMBL215272

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Cc1c(C#N)c(-c2ccc(-c3ccccc3)cc2)c(C(=O)O)n1C

Basic Information

ChEMBL ID CHEMBL215272
Phase Preclinical
Structure Type MOL
InChI Key WFIIIBVCKSRDRH-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
4.24
ALogP
3
HBA
1
HBD
66.0
PSA (Ų)
0.79
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 C20H16N2O2
MW 316.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.63

Activity Summary

EC50 4 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 2
CHEMBL4016
EC50 6.51 6.46 308.0 2
Glutamate receptor 4
CHEMBL3190
EC50 6.27 5.945 532.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16872827 10.1016/j.bmcl.2006.07.012 Glutamate receptor 4 2
16872827 10.1016/j.bmcl.2006.07.012 Glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine