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Compound Detail

CHEMBL474654

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COc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474654
Phase Preclinical
Structure Type MOL
InChI Key RVIMFNLCTIXVKN-LSDHHAIUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
1.67
ALogP
10
HBA
4
HBD
154.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N8O3
MW 426.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 4.0 nM 8.4 Inhibition of recombinant Syk 19254842

Literature References

PubMed DOI Target Context # Activities
19254842 10.1016/j.bmcl.2009.02.049 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine