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Compound Detail

CHEMBL5269295

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Cc1cc(-c2ccc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2F)ccn1

Basic Information

ChEMBL ID CHEMBL5269295
Phase Preclinical
Structure Type MOL
InChI Key NSVQDYZMHMTJCX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
5.76
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20FN3O
MW 409.46
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.5 nM 9.3 Inhibition of Wnt pathway (unknown origin) 33822624

Literature References

PubMed DOI Target Context # Activities
33822624 10.1021/acs.jmedchem.0c01799 Unchecked 1

Data from ChEMBL 36 via Core Engine