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Compound Detail

CHEMBL553895

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Br.C[C@H](NCCc1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL553895
Phase Preclinical
Structure Type MOL
InChI Key NDJBDDZKFBYZGE-RGMNGODLSA-N
Parent Compound CHEMBL1195124
Active Moiety CHEMBL1195124
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
0.55
ALogP
8
HBA
4
HBD
158.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15BrN4O6
MW 403.19
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.47 6.47 340.0 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 receptor ionotropic, NMDA 1 1
10021939 10.1016/s0960-894x(98)00720-3 Mus musculus 1

Data from ChEMBL 36 via Core Engine