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

CHEMBL2426623

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
CC(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2426623
Phase Preclinical
Structure Type MOL
InChI Key ZWTCGJWGJMGWIM-UHFFFAOYSA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
5.42
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.37
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 C25H20FN5OS
MW 457.53
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.56

Activity Summary

EC50 3 meas. best 7.7
Ki 2 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 Ki 8.62 7.99 2.4 2
Glucocorticoid receptor
CHEMBL2034
 EC50 7.7 7.2467 20.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor Ki = 2.4 nM 8.62 Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence pol... 23953070
Glucocorticoid receptor EC50 = 20.0 nM 7.7 Transactivation of glucocorticoid receptor ligand binding domain (unknown origin... 23953070
Glucocorticoid receptor EC50 = 20.0 nM 7.7 Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhi... 23953070
Glucocorticoid receptor Ki = 44.0 nM 7.36 Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence pol... 23953070
Glucocorticoid receptor EC50 = 453.0 nM 6.34 Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhi... 23953070

Literature References

PubMed DOI Target Context # Activities
23953070 10.1016/j.bmcl.2013.06.089 Glucocorticoid receptor 9

Data from ChEMBL 36 via Core Engine