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Compound Detail

CHEMBL5425858

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NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccncc3)cc2n1

Basic Information

ChEMBL ID CHEMBL5425858
Phase Preclinical
Structure Type MOL
InChI Key JSNVDZPMLMMLQY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.13
ALogP
3
HBA
1
HBD
68.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16FN3O
MW 357.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.75

Activity Summary

Ki 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
Ki 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37465306 10.1021/acsmedchemlett.3c00175 Metabotropic glutamate receptor 2 1
37465306 10.1021/acsmedchemlett.3c00175 No relevant target 1

Data from ChEMBL 36 via Core Engine