Compound Detail

CHEMBL569754

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CNc1nc(NCc2ccc(NC(=O)c3ccnc(Cl)c3)cc2)c2ccccc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL569754
Phase	Preclinical
Structure Type	MOL
InChI Key	JIFZTSSDQGCLLR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

418.9

MW (Da)

4.58

ALogP

HBA

HBD

91.8

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.17

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
TCF4/beta-catenin CHEMBL3038511	IC50	6.17	6.135	680.0	2
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.03	6.02	931.0	2

Parameter	Value	Units	Species
T1/2	-	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
TCF4/beta-catenin	IC50	=	680.0	nM	6.17	Inhibition of TCF-4/beta catenin in human Tcf22C11 cells expressing Tcf-4/SV40 b...	-
TCF4/beta-catenin	IC50	=	787.0	nM	6.1	Inhibition of TCF-4/beta catenin in human Tcf33.13 cells expressing Tcf-4/SV40 b...	-
NON-PROTEIN TARGET	IC50	=	931.0	nM	6.03	Growth inhibition of human Tcf22C11 cells transiently transfected with pGL3-Tcf4...	20025292
NON-PROTEIN TARGET	IC50	=	972.0	nM	6.01	Growth inhibition of human Tcf 33.13 cells transiently transfected with pGL3-Tcf...	20025292

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