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Compound Detail

CHEMBL125265

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COc1ccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125265
Phase Preclinical
Structure Type MOL
InChI Key FOSXFCPOIQPYNT-CUJQVJKXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
1.14
ALogP
5
HBA
3
HBD
119.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21NO6
MW 323.35
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.42

Activity Summary

IC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.34 6.34 460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 460.0 nM 6.34 Binding affinity for Group II Metabotropic glutamate receptor was measured using... 9464367

Literature References

PubMed DOI Target Context # Activities
9464367 10.1021/jm970498o Unchecked 1

Data from ChEMBL 36 via Core Engine