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Compound Detail

CHEMBL285346

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NCCCNc1nc(-c2ccc(Br)cc2)cc2ncccc12

Basic Information

ChEMBL ID CHEMBL285346
Phase Preclinical
Structure Type MOL
InChI Key DEPZWPCYJCJMNI-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
3.82
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.68
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 C17H17BrN4
MW 357.26
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.09

Activity Summary

IC50 2 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.58 6.58 260.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 260.0 nM 6.58 Inhibitory activity against spleen tyrosine kinase (SYK) 12668002
Tyrosine-protein kinase SYK IC50 = 260.0 nM 6.58 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