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Compound Detail

CHEMBL5285550

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CCN(CC)CCOc1ccc(-c2cn(C)c3nc(=O)n(C)c(=O)c-3n2)cc1

Basic Information

ChEMBL ID CHEMBL5285550
Phase Preclinical
Structure Type MOL
InChI Key WIFUUUZACLMGEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
1.37
ALogP
8
HBA
0
HBD
82.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N5O3
MW 383.45
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TCF4-CTNNB1 complex
CHEMBL3885541
IC50 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TCF4-CTNNB1 complex IC50 = 16.0 nM 7.8 Inhibition of beta catenin/Tcf4 (unknown origin) protein protein interaction 28851503

Literature References

PubMed DOI Target Context # Activities
28851503 10.1016/j.ejmech.2017.08.009 TCF4-CTNNB1 complex 1
28851503 10.1016/j.ejmech.2017.08.009 Unchecked 1

Data from ChEMBL 36 via Core Engine