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Compound Detail

CHEMBL421213

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CN(C)C(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2

Basic Information

ChEMBL ID CHEMBL421213
Phase Preclinical
Structure Type MOL
InChI Key OLZPMHPUFDDNQS-LCYFTJDESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.21
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O2
MW 281.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK3 IC50 = 210.0 nM 6.68 Inhibitory activity against Janus Kinase 3 protein tyrosine kinase. 12941344

Literature References

PubMed DOI Target Context # Activities
12941344 10.1016/s0960-894x(03)00657-7 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine