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Compound Detail

CHEMBL287478

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NCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12

Basic Information

ChEMBL ID CHEMBL287478
Phase Preclinical
Structure Type MOL
InChI Key WNRBCSQWNKELAM-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.89
ALogP
6
HBA
2
HBD
76.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O
MW 363.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.41

Activity Summary

IC50 3 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 8.1 8.1 8.0 3

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 1
22257213 10.1021/jm201271b Tyrosine-protein kinase SYK 1
23917087 10.1016/j.ejmech.2013.04.070 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine