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Compound Detail

CHEMBL5943664

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CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nc(C)cs2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5943664
Phase Preclinical
Structure Type MOL
InChI Key UXRPYFJEYOJUMO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
4.16
ALogP
9
HBA
3
HBD
114.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N7O2S
MW 447.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.45

Activity Summary

EC50 1 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 EC50 8.28 8.28 5.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Non-receptor tyrosine-protein kinase TYK2 EC50 = 5.21 nM 8.28 Probe Displacement Assay: The probe displacement assay is conducted as follows: ... -

Data from ChEMBL 36 via Core Engine