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Compound Detail

CHEMBL5811479

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CNC(=O)c1nnc(Nc2cc(C(C)O)ccn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5811479
Phase Preclinical
Structure Type MOL
InChI Key UYAZHXSQCXSOEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
2.58
ALogP
11
HBA
4
HBD
152.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N9O3
MW 475.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.73

Activity Summary

EC50 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 EC50 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Non-receptor tyrosine-protein kinase TYK2 EC50 = 1.28 nM 8.89 Probe Displacement Assay: The probe displacement assay is conducted as follows: ... -

Data from ChEMBL 36 via Core Engine