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Compound Detail

CHEMBL40807

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C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL40807
Phase Preclinical
Structure Type MOL
InChI Key MJUWVAFFSWEHNC-VQVTYTSYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
-0.06
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13NO4
MW 199.21
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.34

Activity Summary

Ki 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
Ki 8.0 8.0 10.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 4.92 4.92 12000.0 1
Rattus norvegicus
CHEMBL376
Ki 4.23 4.23 59000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00284-3 Glutamate receptor ionotropic, kainate 1
- 10.1016/S0960-894X(96)00284-3 Glutamate receptor ionotropic, AMPA 1
- 10.1016/S0960-894X(96)00284-3 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(96)00284-3 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine