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Compound Detail

CHEMBL5870323

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CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnn(CC(F)F)c2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5870323
Phase Preclinical
Structure Type MOL
InChI Key AQUZDUWXKDZNOC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
3.07
ALogP
8
HBA
3
HBD
123.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23F2N7O3
MW 471.47
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.58

Activity Summary

EC50 1 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 EC50 8.29 8.29 5.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Non-receptor tyrosine-protein kinase TYK2 EC50 = 5.1 nM 8.29 Probe Displacement Assay: The probe displacement assay is conducted as follows: ... -

Data from ChEMBL 36 via Core Engine