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Compound Detail

CHEMBL508339

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NCCNc1ncc(C(N)=O)c(Nc2cccc(Br)c2)n1

Basic Information

ChEMBL ID CHEMBL508339
Phase Preclinical
Structure Type MOL
InChI Key LCHFUEDOARMXDD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.2
MW (Da)
1.45
ALogP
6
HBA
4
HBD
119.0
PSA (Ų)
0.63
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 C13H15BrN6O
MW 351.21
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.62

Activity Summary

IC50 2 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 7.64 7.64 23.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19254842 10.1016/j.bmcl.2009.02.049 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