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Compound Detail

CHEMBL4089803

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CNC(=O)NC(=O)CSc1ncnc2cc(-c3cccc(C)c3)sc12

Basic Information

ChEMBL ID CHEMBL4089803
Phase Preclinical
Structure Type MOL
InChI Key FPLYSCHUIAQERN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
3.21
ALogP
6
HBA
2
HBD
84.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O2S2
MW 372.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.26

Activity Summary

IC50 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28268139 10.1016/j.bmcl.2017.02.060 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine