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Compound Detail

CHEMBL5270127

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O=C(CCl)Nc1cccc(-c2ncnc3[nH]ccc23)c1

Basic Information

ChEMBL ID CHEMBL5270127
Phase Preclinical
Structure Type MOL
InChI Key ZHCRJPWRXDWSOW-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.7
MW (Da)
2.80
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11ClN4O
MW 286.72
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.48

Activity Summary

IC50 3 meas. best 9.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
IC50 9.11 9.07 0.8 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32971426 10.1016/j.ejmech.2020.112836 Tyrosine-protein kinase JAK3 3

Data from ChEMBL 36 via Core Engine