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Compound Detail

CHEMBL33069

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NCCCNc1nc(-c2cccc(OC(F)(F)F)c2)cc2ncccc12

Basic Information

ChEMBL ID CHEMBL33069
Phase Preclinical
Structure Type MOL
InChI Key JYDBMWYHCQHXMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.96
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.65
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 C18H17F3N4O
MW 362.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.08 6.08 830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 830.0 nM 6.08 Inhibitory activity against spleen tyrosine kinase (SYK) 12668002

Literature References

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

Data from ChEMBL 36 via Core Engine