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

CHEMBL3337848

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
COc1cc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3337848
Phase Preclinical
Structure Type MOL
InChI Key BUHKALAIXMRFQQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
2.54
ALogP
6
HBA
2
HBD
98.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10F2N4O4
MW 348.27
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.47

Activity Summary

IC50 2 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform delta
CHEMBL4484
 IC50 6.24 6.18 570.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Casein kinase I isoform delta IC50 = 570.0 nM 6.24 Inhibition of GST-tagged rat CK1delta expressed in Escherichia coli using GST-p5... 25191940
Casein kinase I isoform delta IC50 = 750.0 nM 6.12 Inhibition of rat CK1delta kinetic domain expressed in Escherichia coli using GS... 25191940

Literature References

PubMed DOI Target Context # Activities
25191940 10.1021/jm500600b Casein kinase I isoform delta 2
25191940 10.1021/jm500600b Casein kinase I isoform epsilon 1
25191940 10.1021/jm500600b Casein kinase I isoform gamma-3 1

Data from ChEMBL 36 via Core Engine