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Compound Detail

CHEMBL4443735

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O=C(NCc1ccccc1F)C1c2ccccc2CC(=O)N1CC1CC1

Basic Information

ChEMBL ID CHEMBL4443735
Phase Preclinical
Structure Type MOL
InChI Key NZYITNACBRISGU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.98
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21FN2O2
MW 352.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.06

Activity Summary

EC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 7
CHEMBL3777
EC50 7.54 7.54 29.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 7 EC50 = 29.2 nM 7.54 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