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Compound Detail

CHEMBL84987

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O=C(O)CCNCc1cc(Br)cc2nc(O)c(O)nc12

Basic Information

ChEMBL ID CHEMBL84987
Phase Preclinical
Structure Type MOL
InChI Key RZDPWUBOSAGJON-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.1
MW (Da)
1.37
ALogP
6
HBA
4
HBD
115.6
PSA (Ų)
0.61
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 C12H12BrN3O4
MW 342.15
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 3800.0 nM 5.42 In vitro inhibition of binding of [3H]AMPA towards AMPA receptor in rat 10021939

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

Data from ChEMBL 36 via Core Engine