Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3953370

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc2nc(N(C)C)nc(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3953370
Phase Preclinical
Structure Type MOL
InChI Key SNAKNDOGCPAEQI-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
5.01
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.45
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 C25H24FN5O
MW 429.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.67

Activity Summary

IC50 2 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TCF4/beta-catenin
CHEMBL3038511
 IC50 6.66 6.515 217.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TCF4/beta-catenin IC50 = 217.0 nM 6.66 Inhibition of TCF-4/beta catenin in human Tcf33.13 cells expressing Tcf-4/SV40 b... -
TCF4/beta-catenin IC50 = 428.0 nM 6.37 Inhibition of TCF-4/beta catenin in human Tcf22C11 cells expressing Tcf-4/SV40 b... -

Data from ChEMBL 36 via Core Engine