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Compound Detail

CHEMBL212694

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CC1(C)CC[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N1C(=O)CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212694
Phase Preclinical
Structure Type BOTH
InChI Key KNUZCBVWBGSPRA-DTWKUNHWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
-0.85
ALogP
5
HBA
4
HBD
150.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23N3O6
MW 329.35
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.19

Activity Summary

Ki 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 Ki 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 330.0 nM 6.48 Displacement of L[3H]glutamate from GluR in rat brain synaptic membrane 16650992

Literature References

PubMed DOI Target Context # Activities
16650992 10.1016/j.bmcl.2006.04.033 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine