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Compound Detail

CHEMBL4872805

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Cc1ccc(-c2n[nH]c(=O)o2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872805
Phase Preclinical
Structure Type MOL
InChI Key ILBQSVJVKJBSFF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
4.54
ALogP
4
HBA
2
HBD
88.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15F2N3O3
MW 407.38
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-2
CHEMBL5880
 IC50 6.64 6.64 227.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-2 IC50 = 227.0 nM 6.64 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