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Compound Detail

CHEMBL5759987

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Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)nc3)cc2C#N)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5759987
Phase Preclinical
Structure Type MOL
InChI Key SVRZEKOUJPGZNF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
5.17
ALogP
4
HBA
1
HBD
78.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N4O
MW 404.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein Wnt-3a
CHEMBL1255137
 IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein Wnt-3a IC50 = 0.1 nM 10.0 Wnt-Luc Reporter Assay: Human embryonic kidney 293 cells (obtained from American... -

Data from ChEMBL 36 via Core Engine