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Compound Detail

CHEMBL3934717

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CNc1nc(NCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c2cc(C)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3934717
Phase Preclinical
Structure Type MOL
InChI Key COJZCIROPCHMHD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
5.12
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F2N5O
MW 433.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.81

Activity Summary

IC50 2 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TCF4/beta-catenin
CHEMBL3038511
 IC50 7.09 7.045 81.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TCF4/beta-catenin IC50 = 81.0 nM 7.09 Inhibition of TCF-4/beta catenin in human Tcf33.13 cells expressing Tcf-4/SV40 b... -
TCF4/beta-catenin IC50 = 100.0 nM 7.0 Inhibition of TCF-4/beta catenin in human Tcf22C11 cells expressing Tcf-4/SV40 b... -

Data from ChEMBL 36 via Core Engine