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Compound Detail

CHEMBL30949

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CN(C)c1ccc(-c2cc3ncccc3c(NCc3cccnc3)n2)cc1

Basic Information

ChEMBL ID CHEMBL30949
Phase Preclinical
Structure Type MOL
InChI Key LVNVVXZYJCSUOM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
4.37
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.58
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 C22H21N5
MW 355.45
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.46

Activity Summary

IC50 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.3 6.095 500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12668002 10.1016/s0960-894x(03)00163-x Tyrosine-protein kinase SYK 2

Data from ChEMBL 36 via Core Engine