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Compound Detail

CHEMBL105740

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COc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccc(S(=O)(=O)NCC(C)C)cc31)cn2C

Basic Information

ChEMBL ID CHEMBL105740
Phase Preclinical
Structure Type MOL
InChI Key PNCQDISTALTMCA-UKWGHVSLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
3.61
ALogP
5
HBA
2
HBD
89.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O4S
MW 439.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.18

Activity Summary

IC50 2 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.03 6.03 937.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12941345 10.1016/s0960-894x(03)00658-9 Tyrosine-protein kinase SYK 1
19254842 10.1016/j.bmcl.2009.02.049 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine