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Compound Detail

CHEMBL197208

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

Basic Information

ChEMBL ID CHEMBL197208
Phase Preclinical
Structure Type BOTH
InChI Key JJGBXTYGTKWGAT-SFYZADRCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
-1.63
ALogP
5
HBA
4
HBD
150.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H19N3O6
MW 301.30
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness -0.22

Activity Summary

Ki 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 Ki 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 1.0 nM 9.0 Displacement of L-[3H]glutamate from N-methyl-D-aspartate glutamate receptor in ... 15837309

Literature References

PubMed DOI Target Context # Activities
15837309 10.1016/j.bmcl.2005.03.015 Glutamate NMDA receptor 2
16650992 10.1016/j.bmcl.2006.04.033 Glutamate NMDA receptor 2
16650992 10.1016/j.bmcl.2006.04.033 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine