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

CHEMBL467234

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@@H](CC12CC(CC(=O)O)(C1)C2)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467234
Phase Preclinical
Structure Type MOL
InChI Key PUVZBKNBZQYKBF-OUBRSPPYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
0.43
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.61
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 C10H15NO4
MW 213.23
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.82

Activity Summary

Ki 3 meas. best 4.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 1
CHEMBL3772
 Ki 4.23 4.23 59000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 1 Ki = 59000.0 nM 4.23 Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cel... 19042134

Literature References

PubMed DOI Target Context # Activities
19042134 10.1016/j.bmc.2008.11.015 Glutamate NMDA receptor 3
19042134 10.1016/j.bmc.2008.11.015 Unchecked 3
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 1 1
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 5 1
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 2 1
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine