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Compound Detail

CHEMBL146520

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Oc1nc2ccccc2c(Br)c1O

Basic Information

ChEMBL ID CHEMBL146520
Phase Preclinical
Structure Type MOL
InChI Key BSYFERFWIZPSKL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

240.1
MW (Da)
2.41
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6BrNO2
MW 240.06
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.44

Activity Summary

IC50 2 meas. best 4.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.28 4.28 53000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00031-5 Glutamate NMDA receptor 1
24936242 10.1021/ml4001112 Unchecked 1

Data from ChEMBL 36 via Core Engine