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

CHEMBL470620

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
CN(C)CC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL470620
Phase Preclinical
Structure Type MOL
InChI Key ORXJSAVDNFYTHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.4
MW (Da)
5.09
ALogP
4
HBA
2
HBD
61.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21BrN4OS
MW 469.41
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 20.0 nM 7.7 Inhibition of AKT1 19285393

Literature References

PubMed DOI Target Context # Activities
19285393 10.1016/j.bmcl.2009.02.094 RAC-alpha serine/threonine-protein kinase 1
19285393 10.1016/j.bmcl.2009.02.094 Unchecked 1

Data from ChEMBL 36 via Core Engine