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

CHEMBL268054

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
Cc1c(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc(C#N)c(=O)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL268054
Phase Preclinical
Structure Type MOL
InChI Key KZGGPZPXZOQAOP-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
3.06
ALogP
6
HBA
2
HBD
109.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N5O2
MW 413.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
 IC50 5.87 5.87 1340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAC-alpha serine/threonine-protein kinase IC50 = 1340.0 nM 5.87 Inhibition of Akt1 at 10 uM ATP 16413780

Literature References

PubMed DOI Target Context # Activities
16413780 10.1016/j.bmcl.2005.12.065 RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine