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

CHEMBL3415582

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
Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3415582
Phase Preclinical
Structure Type MOL
InChI Key UIOQCPHTCWIKNX-LSDHHAIUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
2.62
ALogP
6
HBA
4
HBD
119.0
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 C19H26N6O
MW 354.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 19.0 nM 7.72 Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed... 25625541

Literature References

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

Data from ChEMBL 36 via Core Engine