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Compound Detail

CHEMBL5929444

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C=CCOc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5929444
Phase Preclinical
Structure Type MOL
InChI Key CWKALAKQGXNNIP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
5.53
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22F2N2O4
MW 476.48
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-2
CHEMBL5880
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-2 IC50 = 550.0 nM 6.26 Inhibition of IL-2 secretion: Jurkat T cells were seeded at a density of 0.5 to ... -

Data from ChEMBL 36 via Core Engine