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

CHEMBL271101

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
CNc1ncc(C(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3C)ccc2C)c(OC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL271101
Phase Preclinical
Structure Type MOL
InChI Key HDZJMFILKBJUIC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
4.67
ALogP
6
HBA
3
HBD
105.2
PSA (Ų)
0.48
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 C23H22F3N5O3
MW 473.46
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Lck
CHEMBL258
 IC50 7.36 7.36 44.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase Lck IC50 = 44.0 nM 7.36 Inhibition of Lck by HTRF assay 18083554

Literature References

PubMed DOI Target Context # Activities
18083554 10.1016/j.bmcl.2007.11.123 Tyrosine-protein kinase Lck 1
18083554 10.1016/j.bmcl.2007.11.123 Vascular endothelial growth factor receptor 2 1
18083554 10.1016/j.bmcl.2007.11.123 Tyrosine-protein kinase JAK3 1
18083554 10.1016/j.bmcl.2007.11.123 Angiopoietin-1 receptor 1
18083554 10.1016/j.bmcl.2007.11.123 T-cell 1
18083554 10.1016/j.bmcl.2007.11.123 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine