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Compound Detail

CHEMBL543132

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

Basic Information

ChEMBL ID CHEMBL543132
Phase Preclinical
Structure Type MOL
InChI Key KDLADJJXVDRHPZ-UHFFFAOYSA-N
Parent Compound CHEMBL1191961
Active Moiety CHEMBL1191961
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
0.99
ALogP
9
HBA
3
HBD
147.7
PSA (Ų)
0.41
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 C14H17BrN4O6
MW 417.22
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.72 5.72 1900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 1900.0 nM 5.72 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