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Compound Detail

CHEMBL4446583

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C[C@H](C(=O)NC1COc2ccc(F)cc2C1O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL4446583
Phase Preclinical
Structure Type MOL
InChI Key BQSCKAGEIGVVHB-OGJQHXJOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
2.54
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18FNO3
MW 315.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.30

Activity Summary

EC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 7
CHEMBL3777
EC50 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 7 EC50 = 1.205 nM 8.92 Agonist activity at mGlu7 (unknown origin) 30881607

Literature References

PubMed DOI Target Context # Activities
30881607 10.1039/C8MD00524A Metabotropic glutamate receptor 7 1

Data from ChEMBL 36 via Core Engine