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

CHEMBL4874868

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
CC(C)C1OC(=O)N(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4874868
Phase Preclinical
Structure Type MOL
InChI Key WUQMATMEVQEOIT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
4.23
ALogP
7
HBA
2
HBD
82.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N6O2
MW 436.56
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-6
CHEMBL4924
 IC50 6.39 6.39 410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosomal protein S6 kinase alpha-6 IC50 = 410.0 nM 6.39 Inhibition of RSK4 (unknown origin) incubated for 40 mins in presence of ATP and... 34496560

Literature References

PubMed DOI Target Context # Activities
34496560 10.1021/acs.jmedchem.1c00969 Ribosomal protein S6 kinase alpha-6 1

Data from ChEMBL 36 via Core Engine