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Compound Detail

CHEMBL274226

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O=C(O)c1ccc(C[C@H]2CC[C@H]3CN[C@H](C(=O)O)C[C@H]3C2)cc1

Basic Information

ChEMBL ID CHEMBL274226
Phase Preclinical
Structure Type MOL
InChI Key YVMADKYPKNLVGU-BVUBDWEXSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.41
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO4
MW 317.38
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.94

Activity Summary

Ki 2 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 4.99 4.99 10170.0 1
Glutamate receptor ionotropic, kainate 1
CHEMBL1918
Ki 4.77 4.77 17130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15974569 10.1021/jm0491952 Unchecked 3
- 10.1016/S0960-894X(97)00185-6 Glutamate receptor ionotropic, AMPA 2
- 10.1016/S0960-894X(97)00185-6 Glutamate NMDA receptor 2
15974569 10.1021/jm0491952 Glutamate receptor 2 1
15974569 10.1021/jm0491952 Glutamate receptor ionotropic, kainate 1 1
15974569 10.1021/jm0491952 Glutamate receptor ionotropic, kainate 2 1

Data from ChEMBL 36 via Core Engine