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Compound Detail

CHEMBL154235

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NC(CC1=CCCCc2onc(O)c21)C(=O)O

Basic Information

ChEMBL ID CHEMBL154235
Phase Preclinical
Structure Type MOL
InChI Key HJEPOXZLPHUVFE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
0.90
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H14N2O4
MW 238.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.45

Activity Summary

IC50 1 meas. best 4.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 4.07 4.07 85000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
6325690 10.1021/jm00371a005 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine