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Compound Detail

CHEMBL5756306

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NC(=O)c1cnn2c(N)cc(Nc3cccc(N4CCOCC4)c3Cl)nc12

Basic Information

ChEMBL ID CHEMBL5756306
Phase Preclinical
Structure Type MOL
InChI Key AJFJENNJWMWDKY-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.8
MW (Da)
1.64
ALogP
8
HBA
3
HBD
123.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18ClN7O2
MW 387.83
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.77

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