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Compound Detail

CHEMBL3260318

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Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)c1

Basic Information

ChEMBL ID CHEMBL3260318
Phase Preclinical
Structure Type MOL
InChI Key FHLLUBJCTSMNCQ-DLBZAZTESA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
3.22
ALogP
5
HBA
4
HBD
106.1
PSA (Ų)
0.66
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 C20H27N5O
MW 353.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.94

Activity Summary

IC50 2 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 8.55 8.55 2.8 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900823 10.1021/ml500047f Tyrosine-protein kinase SYK 1
25625541 10.1021/jm5018169 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine