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

CHEMBL82617

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
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82617
Phase Preclinical
Structure Type MOL
InChI Key VPOBJMVQYLVDFZ-GOSISDBHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.3
MW (Da)
3.40
ALogP
4
HBA
2
HBD
88.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19BrN2O4
MW 443.30
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2555510 10.1021/jm00132a004 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine