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Compound Detail

CHEMBL5880067

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CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(CC(F)F)n2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5880067
Phase Preclinical
Structure Type MOL
InChI Key SNINCCLSJGHGQC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
2.46
ALogP
9
HBA
3
HBD
135.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22F2N8O3
MW 472.46
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.52

Activity Summary

EC50 1 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 EC50 8.2 8.2 6.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Non-receptor tyrosine-protein kinase TYK2 EC50 = 6.35 nM 8.2 Probe Displacement Assay: The probe displacement assay is conducted as follows: ... -

Data from ChEMBL 36 via Core Engine