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Compound Detail

CHEMBL3260323

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Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)n1

Basic Information

ChEMBL ID CHEMBL3260323
Phase Preclinical
Structure Type MOL
InChI Key GTXJLJRDPSWJNY-JKSUJKDBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.91
ALogP
5
HBA
4
HBD
106.1
PSA (Ų)
0.67
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 C19H25N5O
MW 339.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 7.38 7.38 41.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 41.8 nM 7.38 SYK Assa: SYK kinase assay is a standard kinase assay adapted to a 96 well plate... -

Literature References

PubMed DOI Target Context # Activities
24900823 10.1021/ml500047f Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine