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Compound Detail

CHEMBL105421

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COc1ccc2c(c1)c(CC1C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C

Basic Information

ChEMBL ID CHEMBL105421
Phase Preclinical
Structure Type MOL
InChI Key YUFXVKVATYTTCX-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.11
ALogP
5
HBA
2
HBD
103.4
PSA (Ų)
0.72
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 C19H19N3O4S
MW 385.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.82

Activity Summary

IC50 3 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 5.09 5.09 8100.0 3

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
22257213 10.1021/jm201271b Tyrosine-protein kinase SYK 1
23917087 10.1016/j.ejmech.2013.04.070 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine