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Compound Detail

CHEMBL4868543

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Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cncc2F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4868543
Phase Preclinical
Structure Type MOL
InChI Key VWWZLAHHWMLIIM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
3.46
ALogP
7
HBA
1
HBD
106.4
PSA (Ų)
0.67
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 C22H17F2N5O3
MW 437.41
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-2
CHEMBL5880
 IC50 7.03 7.03 94.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-2 IC50 = 94.4 nM 7.03 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