Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL30774

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CNc1nc(-c2ccc(OC)cc2)cc2ncccc12

Basic Information

ChEMBL ID CHEMBL30774
Phase Preclinical
Structure Type MOL
InChI Key HXMCZIXCUWAZEK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.35
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O
MW 265.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.92

Activity Summary

IC50 2 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.31 6.31 490.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 490.0 nM 6.31 Inhibitory activity against spleen tyrosine kinase (SYK) 12668002
Tyrosine-protein kinase SYK IC50 = 490.0 nM 6.31 Inhibition of SYK 22257213

Literature References

PubMed DOI Target Context # Activities
12668002 10.1016/s0960-894x(03)00163-x Tyrosine-protein kinase SYK 1
22257213 10.1021/jm201271b Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine