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Compound Detail

CHEMBL6046719

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CNc1cc(Nc2cccn(-c3nccs3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12

Basic Information

ChEMBL ID CHEMBL6046719
Phase Preclinical
Structure Type MOL
InChI Key FPSGPMXIIZZZCI-YPMHNXCESA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
1.96
ALogP
10
HBA
3
HBD
118.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17FN8O2S
MW 440.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.84

Activity Summary

Kd 3 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
Kd 9.22 9.22 0.6 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine