Compound Detail

CHEMBL5287071

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Cc1cc(-c2cn(CC(=O)Nc3ccncc3Cl)c3ncn(C)c(=O)c23)cc(C#N)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5287071
Phase	Preclinical
Structure Type	MOL
InChI Key	RLPILOIIKFLBFA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

448.9

MW (Da)

2.97

ALogP

HBA

HBD

125.8

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 3 meas. best 6.64

Kd 1 meas. best 7.66

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
B-cell lymphoma 6 protein CHEMBL4105786	Kd	7.66	7.66	22.0	1
KARPAS-422 CHEMBL2366368	IC50	6.64	6.64	231.0	1
B-cell lymphoma 6 protein CHEMBL4105786	IC50	6.53	6.27	293.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
B-cell lymphoma 6 protein	Kd	=	22.0	nM	7.66	Binding affinity to BCL6 BTB domain (unknown origin) assessed as dissociation co...	36793435
KARPAS-422	IC50	=	231.0	nM	6.64	Antiproliferative activity against human KARPAS-422 cell assessed as cell growth...	36793435
B-cell lymphoma 6 protein	IC50	=	293.0	nM	6.53	Inhibition of BCL6 (unknown origin) stably expressed in human SU-DHL-4 cells inc...	36793435
B-cell lymphoma 6 protein	IC50	=	980.0	nM	6.01	Displacement of labelled SMRT peptide from BCL6 BTB domain (unknown origin) by f...	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