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Compound Detail

CHEMBL543367

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Br.C[C@@H](NCc1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL543367
Phase Preclinical
Structure Type MOL
InChI Key CRCNACNKXMXMRO-NUBCRITNSA-N
Parent Compound CHEMBL1192177
Active Moiety CHEMBL1192177
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

308.2
MW (Da)
0.51
ALogP
8
HBA
4
HBD
158.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13BrN4O6
MW 389.16
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.87

Activity Summary

IC50 2 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.42 6.42 380.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10021939 10.1016/s0960-894x(98)00720-3 Glutamate receptor ionotropic, AMPA 1
10021939 10.1016/s0960-894x(98)00720-3 Glutamate NMDA receptor 1
10021939 10.1016/s0960-894x(98)00720-3 Mus musculus 1

Data from ChEMBL 36 via Core Engine