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Compound Detail

CHEMBL288478

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C[C@H]1C[C@@H](CC(=O)O)n2c(=O)c(=O)[nH]c3cc(Br)cc1c32

Basic Information

ChEMBL ID CHEMBL288478
Phase Preclinical
Structure Type MOL
InChI Key QKYXKRPCPYZMEB-XPUUQOCRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.2
MW (Da)
1.98
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13BrN2O4
MW 353.17
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.06

Activity Summary

Ki 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 7.38 7.38 42.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00243-M Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine