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Compound Detail

CHEMBL73069

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N[C@H](Cc1onc(O)c1Br)C(=O)O

Basic Information

ChEMBL ID CHEMBL73069
Phase Preclinical
Structure Type MOL
InChI Key JRTOQOAGTSUNHA-UWTATZPHSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

251.0
MW (Da)
0.10
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H7BrN2O4
MW 251.04
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.12

Activity Summary

IC50 4 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 6.82 6.82 150.0 1
Unchecked
CHEMBL612545
IC50 6.82 5.66 150.0 2
Glutamate receptor ionotropic, AMPA
CHEMBL2096617
IC50 4.5 4.5 32000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2552114 10.1021/jm00130a005 Unchecked 2
9526567 10.1021/jm9706731 Glutamate receptor ionotropic, AMPA 1
9526567 10.1021/jm9706731 Unchecked 1
9526567 10.1021/jm9706731 Rattus norvegicus 1
2552114 10.1021/jm00130a005 Glutamate receptor ionotropic, kainate 1
2552114 10.1021/jm00130a005 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine