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Compound Detail

CHEMBL5410262

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Cc1ncc(CCc2ccc3c(-c4ccc(CF)cc4)cc(C(N)=O)nc3c2)cn1

Basic Information

ChEMBL ID CHEMBL5410262
Phase Preclinical
Structure Type MOL
InChI Key IDDZAFDEBUTVFD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.35
ALogP
4
HBA
1
HBD
81.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21FN4O
MW 400.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.43

Activity Summary

Ki 1 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
Ki 8.77 8.77 1.7 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