Compound Detail

CHEMBL5267067

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Cn1cnc2c(c(-c3ccc(O)c(C#N)c3)cn2CC(=O)Nc2ccncc2Cl)c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5267067
Phase	Preclinical
Structure Type	MOL
InChI Key	OMQBAUBAIKPPEO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

434.8

MW (Da)

2.67

ALogP

HBA

HBD

125.8

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 3 meas. best 6.1

Kd 1 meas. best 7.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
B-cell lymphoma 6 protein CHEMBL4105786	Kd	7.27	7.27	54.0	1
KARPAS-422 CHEMBL2366368	IC50	6.1	6.1	796.0	1
B-cell lymphoma 6 protein CHEMBL4105786	IC50	5.96	5.82	1100.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
B-cell lymphoma 6 protein	Kd	=	54.0	nM	7.27	Binding affinity to BCL6 BTB domain (unknown origin) assessed as dissociation co...	36793435
KARPAS-422	IC50	=	796.0	nM	6.1	Antiproliferative activity against human KARPAS-422 cell assessed as cell growth...	36793435
B-cell lymphoma 6 protein	IC50	=	1100.0	nM	5.96	Displacement of labelled SMRT peptide from BCL6 BTB domain (unknown origin) by f...	36793435
B-cell lymphoma 6 protein	IC50	=	2100.0	nM	5.68	Inhibition of BCL6 (unknown origin) stably expressed in human SU-DHL-4 cells inc...	36793435

PubMed	DOI	Target Context	# Activities
36793435	10.1021/acsmedchemlett.2c00502	B-cell lymphoma 6 protein	3
36793435	10.1021/acsmedchemlett.2c00502	ADMET	3
36793435	10.1021/acsmedchemlett.2c00502	KARPAS-422	1

Data from ChEMBL 36 via Core Engine