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Compound Detail

CHEMBL567668

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CCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccccn2)cs1

Basic Information

ChEMBL ID CHEMBL567668
Phase Preclinical
Structure Type MOL
InChI Key GMMCGAUGVKQWNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.01
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.73
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 C17H14FN3OS
MW 327.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.33

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 1
CHEMBL3772
IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19674894 10.1016/j.bmcl.2009.07.097 Metabotropic glutamate receptor 1 1

Data from ChEMBL 36 via Core Engine