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Compound Detail

CHEMBL108258

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

Basic Information

ChEMBL ID CHEMBL108258
Phase Preclinical
Structure Type MOL
InChI Key BRYYLFIPPRHCLJ-IDUWFGFVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
1.44
ALogP
6
HBA
3
HBD
132.5
PSA (Ų)
0.50
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 C21H20N4O5S
MW 440.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 7.01 7.01 98.0 1

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
12941345 10.1016/s0960-894x(03)00658-9 Low affinity immunoglobulin epsilon Fc receptor 1
12941345 10.1016/s0960-894x(03)00658-9 No relevant target 1

Data from ChEMBL 36 via Core Engine