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Compound Detail

CHEMBL30388

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NCCCNc1nc(-c2cccc(-c3ccsc3)c2)cc2ncccc12

Basic Information

ChEMBL ID CHEMBL30388
Phase Preclinical
Structure Type MOL
InChI Key VRBRXXBRNMHSPG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
4.79
ALogP
5
HBA
2
HBD
63.8
PSA (Ų)
0.49
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 C21H20N4S
MW 360.49
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.52

Activity Summary

IC50 2 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 5.82 5.82 1500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12668002 10.1016/s0960-894x(03)00163-x 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