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Compound Detail

CHEMBL3646774

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O=C(Nc1c(F)cccc1F)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3646774
Phase Preclinical
Structure Type MOL
InChI Key ZYPDOLOIVUQBHA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.8
MW (Da)
6.62
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H9ClF5NOS
MW 417.79
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.71

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-2
CHEMBL5880
 IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-2 IC50 = 3.0 nM 8.52 Inhibition Assay: Jurkat cells were placed in a 96 well plate (0.5 million cells... -

Data from ChEMBL 36 via Core Engine