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Compound Detail

CHEMBL475248

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Cc1cc(C)cc(Nc2nc(N[C@H](CN)c3ccccc3)n3ccnc3c2C(N)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475248
Phase Preclinical
Structure Type MOL
InChI Key RBQAJBVZEDAVEU-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
3.30
ALogP
7
HBA
4
HBD
123.4
PSA (Ų)
0.37
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 C23H25N7O
MW 415.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 21.0 nM 7.68 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