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Compound Detail

CHEMBL434064

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COC(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC1/C(=N\O)c1ccccc1O2

Basic Information

ChEMBL ID CHEMBL434064
Phase Preclinical
Structure Type MOL
InChI Key USPCVYGSUNDFSN-OROUUBLGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
1.92
ALogP
6
HBA
2
HBD
97.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O5
MW 380.40
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.37

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 1
CHEMBL3772
IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11087567 10.1021/jm0009944 Metabotropic glutamate receptor 1 1

Data from ChEMBL 36 via Core Engine