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Compound Detail

CHEMBL14815

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Cc1onc(O)c1C[C@@H](N)C(=O)O

Basic Information

ChEMBL ID CHEMBL14815
Phase Preclinical
Structure Type MOL
InChI Key UUDAMDVQRQNNHZ-RXMQYKEDSA-N
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

186.2
MW (Da)
-0.36
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.59
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 C7H10N2O4
MW 186.17
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.09

Activity Summary

IC50 4 meas. best 5.32
EC50 2 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.32 4.52 4800.0 3
Rattus norvegicus
CHEMBL376
IC50 5.32 5.32 4800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8759641 10.1021/jm9602569 Glutamate NMDA receptor 2
8759641 10.1021/jm9602569 Glutamate receptor ionotropic, AMPA 2
2859375 10.1021/jm50001a022 Rattus norvegicus 2
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 1 1
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 2 1
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 4 1
8759641 10.1021/jm9602569 Metabotropic glutamate receptor 6 1
8759641 10.1021/jm9602569 Glutamate receptor ionotropic, kainate 1
2859375 10.1021/jm50001a022 Unchecked 1
- 10.1016/S0960-894X(00)80102-X Glutamate receptor ionotropic, AMPA 1
- 10.1016/S0960-894X(00)80102-X Rattus norvegicus 1
6133955 10.1021/jm00360a021 Glutamate receptor ionotropic, AMPA 1

Data from ChEMBL 36 via Core Engine