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Compound Detail

CHEMBL5871439

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O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)n2n1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5871439
Phase Preclinical
Structure Type MOL
InChI Key XUZIZXXNEDQUFS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
3.68
ALogP
6
HBA
2
HBD
105.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18FN5O3S
MW 451.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.23

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Non-receptor tyrosine-protein kinase TYK2 IC50 = 300.0 nM 6.52 TYK2 Inhibition Assay: Recombinant human TYK2 catalytic domain (amino acids 871-... -

Data from ChEMBL 36 via Core Engine