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Compound Detail

CHEMBL82406

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N[C@@H](Cc1c(O)noc1-c1ccccn1)C(=O)O

Basic Information

ChEMBL ID CHEMBL82406
Phase Preclinical
Structure Type MOL
InChI Key HLLHATMIFIDOOV-ZETCQYMHSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

249.2
MW (Da)
0.40
ALogP
6
HBA
3
HBD
122.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11N3O4
MW 249.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.29

Activity Summary

EC50 1 meas. best 5.35
IC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.72 6.72 190.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
EC50 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9651156 10.1021/jm9801206 Glutamate receptor ionotropic, AMPA 2
9651156 10.1021/jm9801206 Glutamate receptor ionotropic, kainate 1
9651156 10.1021/jm9801206 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine