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

CHEMBL1965169

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
Cc1ccc(-c2cc3nc(Br)cnc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL1965169
Phase Preclinical
Structure Type MOL
InChI Key SHZPFCZPWGVEED-UHFFFAOYSA-N
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.1
MW (Da)
3.70
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10BrN3
MW 288.15
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.99

Activity Summary

Ki 8 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 5
CHEMBL4036
Ki 8.1 8.1 7.9 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.0 7.0 100.0 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 6.8 6.8 158.5 1
Tyrosine-protein kinase ABL1
CHEMBL1862
Ki 6.1 6.1 794.3 1
Aurora kinase B
CHEMBL2185
Ki 6.1 6.1 794.3 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 5.9 5.9 1258.9 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 5.6 5.6 2511.9 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine