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Compound Detail

CHEMBL293829

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N#Cc1ccc(/C=C/C[C@H](C[C@H](N)C(=O)O)C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL293829
Phase Preclinical
Structure Type MOL
InChI Key HCTVQIDZKYRCLW-XXUGLENDSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
1.46
ALogP
4
HBA
3
HBD
124.4
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 C15H16N2O4
MW 288.30
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.44

Activity Summary

Ki 2 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate 1
CHEMBL1918
Ki 6.43 6.43 367.0 1
Glutamate receptor ionotropic, kainate 2
CHEMBL3683
Ki 5.35 5.35 4491.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10821708 10.1021/jm9911682 Glutamate receptor ionotropic, kainate 1 1
10821708 10.1021/jm9911682 Glutamate receptor ionotropic, kainate 2 1
10821708 10.1021/jm9911682 Unchecked 1

Data from ChEMBL 36 via Core Engine