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

CHEMBL385143

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
CNc1nccc(-c2ccc(C(=O)N[C@H](CCN)Cc3ccc(Cl)cc3Cl)s2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL385143
Phase Preclinical
Structure Type MOL
InChI Key HSTXBCBDIYGWDE-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
4.24
ALogP
6
HBA
3
HBD
92.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21Cl2N5OS
MW 450.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-gamma serine/threonine-protein kinase
CHEMBL4816
 IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-gamma serine/threonine-protein kinase IC50 = 27.0 nM 7.57 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