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Compound Detail

CHEMBL5978841

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O=C(Nc1nc2cccc(-c3ccc(CC(=O)N4CC(F)(F)C4)cc3)n2n1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5978841
Phase Preclinical
Structure Type MOL
InChI Key VJUOXWNNDOFWOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
2.76
ALogP
5
HBA
1
HBD
79.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F2N5O2
MW 411.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.54

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