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Compound Detail

CHEMBL448885

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

Basic Information

ChEMBL ID CHEMBL448885
Phase Preclinical
Structure Type MOL
InChI Key PUVZBKNBZQYKBF-STOUBEHRSA-N
1
Targets
1
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 1 meas. best 4.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 Ki 4.28 4.28 53000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 53000.0 nM 4.28 Displacement of [3H]CGP39653 from NMDA receptor in rat brain membranes 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 2 1
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 4 1
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine