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Compound Detail

CHEMBL4111267

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NC(=O)c1cc(-c2ccc(F)cc2)c2ccc([C@H](O)Cc3ccc(Cl)nc3)cc2n1

Basic Information

ChEMBL ID CHEMBL4111267
Phase Preclinical
Structure Type MOL
InChI Key CWRYRTIWJWUWEF-OAQYLSRUSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.9
MW (Da)
4.46
ALogP
4
HBA
2
HBD
89.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17ClFN3O2
MW 421.86
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.74

Activity Summary

IC50 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
IC50 8.0 7.88 10.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine