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Compound Detail

CHEMBL5867201

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CNc1cc(Nc2cc(C)cnc2OC(C)C)nc2c(C(=O)NC3CC3)cnn12

Basic Information

ChEMBL ID CHEMBL5867201
Phase Preclinical
Structure Type MOL
InChI Key KKSJSCZJNDCDHC-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
2.90
ALogP
8
HBA
3
HBD
105.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N7O2
MW 395.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.68

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