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Compound Detail

CHEMBL368275

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C=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368275
Phase Preclinical
Structure Type MOL
InChI Key INLUSRXWMDDOKK-NSHGMRRFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.26
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO5
MW 367.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.56

Activity Summary

Ki 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 2
CHEMBL3607
 Ki 7.92 7.92 11.9 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
 Ki 6.68 6.68 209.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, kainate 2 Ki = 11.9 nM 7.92 Inhibition of [3H]kainate binding at rat forebrain ionotropic glutamate receptor... 8809152
Glutamate receptor ionotropic, kainate 2 Ki = 209.6 nM 6.68 Inhibition of [3H]kainate binding at ionotropic glutamate receptor kainate 2 8809152

Literature References

PubMed DOI Target Context # Activities
8809152 10.1021/jm960155a Glutamate receptor ionotropic, kainate 2 5

Data from ChEMBL 36 via Core Engine