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Compound Detail

CHEMBL4456545

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O=C(C[C@H](NCC1CC1)c1ccccc1)N1CCCOc2ccccc21

Basic Information

ChEMBL ID CHEMBL4456545
Phase Preclinical
Structure Type MOL
InChI Key FRJSFWUQFAITAN-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
3.93
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O2
MW 350.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.87

Activity Summary

EC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 7
CHEMBL3777
EC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine