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Compound Detail

CHEMBL5960208

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Cc1cc(-n2cccc(Nc3cc(N)n4ncc(C(N)=O)c4n3)c2=O)no1

Basic Information

ChEMBL ID CHEMBL5960208
Phase Preclinical
Structure Type MOL
InChI Key HGDJDQUGNLYMPU-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
0.60
ALogP
10
HBA
3
HBD
159.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N8O3
MW 366.34
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.99

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