Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL339542

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N[C@@](CCc1cccc(Oc2ccccc2)c1)(C(=O)O)C1C[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL339542
Phase Preclinical
Structure Type MOL
InChI Key ACBVMQKDQFEJCE-YKBQRGLWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
2.91
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.67
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 C20H21NO5
MW 355.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.10

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 220.0 nM 6.66 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