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Compound Detail

CHEMBL307667

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CCc1c(Br)cc2nc(O)c(O)nc2c1CN(C)CC(=O)O

Basic Information

ChEMBL ID CHEMBL307667
Phase Preclinical
Structure Type MOL
InChI Key BNRHOJBZJFRBFW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

370.2
MW (Da)
1.88
ALogP
6
HBA
3
HBD
106.8
PSA (Ų)
0.74
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 C14H16BrN3O4
MW 370.20
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.74

Activity Summary

IC50 2 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.63 5.63 2320.0 1
Glutamate receptor ionotropic AMPA
CHEMBL2096670
IC50 5.63 5.63 2320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10377233 10.1021/jm980455n Glutamate receptor ionotropic, AMPA 1
10377233 10.1021/jm980455n No relevant target 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic AMPA 1
34998058 10.1016/j.ejmech.2021.114085 No relevant target 1

Data from ChEMBL 36 via Core Engine