Compound Detail

CHEMBL583471

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CN(C)c1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(C#N)cc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL583471
Phase	Preclinical
Structure Type	MOL
InChI Key	PEHXGTJUEIUPJT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

440.5

MW (Da)

4.57

ALogP

HBA

HBD

93.9

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.83

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
TCF4/beta-catenin CHEMBL3038511	IC50	5.83	5.75	1479.0	2
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.83	5.75	1479.0	2

Parameter	Value	Units	Species
T1/2	0.1833	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	1479.0	nM	5.83	Growth inhibition of human Tcf 33.13 cells transiently transfected with pGL3-Tcf...	20025292
TCF4/beta-catenin	IC50	=	1479.0	nM	5.83	Inhibition of TCF-4/beta catenin in human Tcf33.13 cells expressing Tcf-4/SV40 b...	-
NON-PROTEIN TARGET	IC50	=	2138.0	nM	5.67	Growth inhibition of human Tcf22C11 cells transiently transfected with pGL3-Tcf4...	20025292
TCF4/beta-catenin	IC50	=	2138.0	nM	5.67	Inhibition of TCF-4/beta catenin in human Tcf22C11 cells expressing Tcf-4/SV40 b...	-

PubMed	DOI	Target Context	# Activities
20025292	10.1021/jm901370m	NON-PROTEIN TARGET	3
20025292	10.1021/jm901370m	No relevant target	1
20025292	10.1021/jm901370m	Liver microsomes	1
20025292	10.1021/jm901370m	ADMET	1

Data from ChEMBL 36 via Core Engine