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

CHEMBL211570

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
CCC(CNC(=O)c1ccc(-c2ccnc(NC)n2)s1)c1ccc(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL211570
Phase Preclinical
Structure Type MOL
InChI Key DJJRJUQWSOKPLQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
5.48
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20Cl2N4OS
MW 435.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-gamma serine/threonine-protein kinase
CHEMBL4816
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-gamma serine/threonine-protein kinase IC50 = 1000.0 nM 6.0 Inhibition of AKT3 in presence of 0.2 uM ATP 16765046

Literature References

PubMed DOI Target Context # Activities
16765046 10.1016/j.bmcl.2006.05.092 RAC-gamma serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine