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

CHEMBL473992

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/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)COc1ccc(Br)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473992
Phase Preclinical
Structure Type MOL
InChI Key CEOIXUHOLHIGAV-CVKSISIWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.4
MW (Da)
4.10
ALogP
4
HBA
2
HBD
79.8
PSA (Ų)
0.46
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 C23H30BrN3O3
MW 476.42
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL3910
 IC50 5.18 5.18 6550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 6550.0 nM 5.18 Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion... 18653260

Literature References

PubMed DOI Target Context # Activities
18653260 10.1016/j.ejmech.2008.06.005 11-beta-hydroxysteroid dehydrogenase 1 3
18653260 10.1016/j.ejmech.2008.06.005 11-beta-hydroxysteroid dehydrogenase type 2 2

Data from ChEMBL 36 via Core Engine