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

CHEMBL4872086

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
CCn1nc(-c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2)oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872086
Phase Preclinical
Structure Type MOL
InChI Key OWPMRXOYWPQBNY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
5.03
ALogP
5
HBA
1
HBD
77.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19F2N3O3
MW 435.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-2
CHEMBL5880
 IC50 7.11 7.11 78.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-2 IC50 = 78.0 nM 7.11 Inhibition of PHA-stimulated IL2 secretion in human Jurkat T cells preincubated ... 34843241

Literature References

PubMed DOI Target Context # Activities
34843241 10.1021/acs.jmedchem.1c01403 Interleukin-2 1

Data from ChEMBL 36 via Core Engine