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Compound Detail

CHEMBL4556629

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C[C@H](C(=O)NC1COc2ccccc2C1S(C)(=O)=O)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL4556629
Phase Preclinical
Structure Type MOL
InChI Key DKLUNKKXISSMIY-KIAYWQFFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
2.59
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FNO4S
MW 377.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.63

Activity Summary

EC50 2 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 7
CHEMBL3966
EC50 8.74 8.74 1.8 1
Metabotropic glutamate receptor 7
CHEMBL3777
EC50 8.16 8.16 6.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30881607 10.1039/C8MD00524A Metabotropic glutamate receptor 7 2

Data from ChEMBL 36 via Core Engine