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

CHEMBL5590838

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
Cn1ccc(-c2cn(C)c(=O)c3cn(CC4CCCCN(C(=O)NC5CCCCC5)C4)nc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590838
Phase Preclinical
Structure Type MOL
InChI Key RFLHRXRDSNIJDT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
3.28
ALogP
7
HBA
1
HBD
90.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H35N7O2
MW 465.60
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 IC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 IC50 = 220.0 nM 6.66 Inhibition of BRD4 BD1 (unknown origin) 38876177

Literature References

PubMed DOI Target Context # Activities
38876177 10.1016/j.bmcl.2024.129849 Bromodomain-containing protein 4 2
38876177 10.1016/j.bmcl.2024.129849 Unchecked 1

Data from ChEMBL 36 via Core Engine