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

CHEMBL1093140

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
C=C1C(C)CCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093140
Phase Preclinical
Structure Type MOL
InChI Key RIEMQEYABCAMNE-PVQCJRHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
5.55
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27BrO3
MW 395.34
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.66

Activity Summary

Ki 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 Ki 5.39 5.39 4109.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor Ki = 4109.0 nM 5.39 Displacement of [3H]DEX from human glucocorticoid receptor 20334371

Literature References

PubMed DOI Target Context # Activities
20334371 10.1021/jm901452y Glucocorticoid receptor 2

Data from ChEMBL 36 via Core Engine