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Compound Detail

CHEMBL384953

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CCc1c(C#N)c(-c2ccc(-c3ccc(C#N)cc3)cc2)c(C(=O)O)n1C

Basic Information

ChEMBL ID CHEMBL384953
Phase Preclinical
Structure Type MOL
InChI Key FMZFMQSBRHHJLL-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
4.36
ALogP
4
HBA
1
HBD
89.8
PSA (Ų)
0.75
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 C22H17N3O2
MW 355.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.76

Activity Summary

EC50 3 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3190
EC50 6.43 6.43 373.0 1
Glutamate receptor 2
CHEMBL4016
EC50 6.43 6.4 370.0 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