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Compound Detail

CHEMBL381831

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C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381831
Phase Preclinical
Structure Type BOTH
InChI Key IORKCNUBHNIMKY-CIUDSAMLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
-1.24
ALogP
5
HBA
4
HBD
150.0
PSA (Ų)
0.46
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 C13H21N3O6
MW 315.33
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.15

Activity Summary

Ki 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 Ki 5.58 5.58 2660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 2660.0 nM 5.58 Displacement of L-[3H]glutamate from glutamate receptor in rat brain synaptic me... 16321525

Literature References

PubMed DOI Target Context # Activities
16321525 10.1016/j.bmcl.2005.11.040 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine