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Compound Detail

CHEMBL3685808

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Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CC(C)(C)c3nnco3)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3685808
Phase Preclinical
Structure Type MOL
InChI Key UNZRELCNSIYQBP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
5.57
ALogP
8
HBA
1
HBD
89.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3N6OS
MW 460.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 7.0 nM 8.15 Homogeneous Time-Resolved Fluorescence (HTRF) Assay : A recombinant GST-hSYK fus... -

Data from ChEMBL 36 via Core Engine