Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL22338

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCc1cc(Br)cc2nc(C(=O)O)cc(O)c12

Basic Information

ChEMBL ID CHEMBL22338
Phase Preclinical
Structure Type MOL
InChI Key OUDREQGAEBEVHM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.1
MW (Da)
2.96
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10BrNO3
MW 296.12
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 7.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 7.18 7.18 66.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 3

Data from ChEMBL 36 via Core Engine