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

CHEMBL5266874

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
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn(CCBr)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266874
Phase Preclinical
Structure Type MOL
InChI Key QPIQQCBHSCUOIM-CEJXBKOESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

585.7
MW (Da)
8.18
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H49BrN2O2
MW 585.67
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 2.26

Activity Summary

IC50 2 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 5.57 5.57 2670.0 1
Unchecked
CHEMBL612545
 IC50 5.3 5.3 4950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 2670.0 nM 5.57 Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... 36701870
Unchecked IC50 = 4950.0 nM 5.3 Anti-osteoclastogensis activity in BALB/c mouse bone marrow macrophage cells ass... 36701870

Literature References

PubMed DOI Target Context # Activities
36701870 10.1016/j.bmc.2023.117177 Unchecked 3
36701870 10.1016/j.bmc.2023.117177 RAW264.7 2
36701870 10.1016/j.bmc.2023.117177 Macrophage 1

Data from ChEMBL 36 via Core Engine