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Compound Detail

CHEMBL30885

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NCCCNc1nc(-c2cccc(F)c2)cc2ncccc12

Basic Information

ChEMBL ID CHEMBL30885
Phase Preclinical
Structure Type MOL
InChI Key JFJNDADYWGCNGU-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.20
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17FN4
MW 296.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.37

Activity Summary

IC50 3 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.07 6.07 850.0 3

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
19254842 10.1016/j.bmcl.2009.02.049 Tyrosine-protein kinase SYK 1
22257213 10.1021/jm201271b Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine