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Compound Detail

CHEMBL4209692

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C=CC(=O)Nc1ccc(F)c(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4209692
Phase Preclinical
Structure Type MOL
InChI Key KNLROUBMVYVLGX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.3
MW (Da)
3.07
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.54
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 C18H15FN4O3
MW 354.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 9.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
 IC50 9.37 9.37 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK3 IC50 = 0.43 nM 9.37 Inhibition of JAK3 (unknown origin) 28844493

Literature References

PubMed DOI Target Context # Activities
28844493 10.1016/j.bmcl.2017.07.079 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine