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

CHEMBL4593025

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
CNC(=O)c1ccc2c(c1)nc(-c1cc(C)c(O)c(C)c1)n2CC1CCN(C(C)=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593025
Phase Preclinical
Structure Type MOL
InChI Key XUCCKWZFCMIDPS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
3.64
ALogP
5
HBA
2
HBD
87.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N4O3
MW 434.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 IC50 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 IC50 = 251.19 nM 6.6 Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-termina... 31904959

Literature References

PubMed DOI Target Context # Activities
31904959 10.1021/acs.jmedchem.9b01670 Bromodomain-containing protein 4 2
31904959 10.1021/acs.jmedchem.9b01670 No relevant target 1

Data from ChEMBL 36 via Core Engine