Compound Detail

CHEMBL4077626

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CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4077626
Phase	Preclinical
Structure Type	MOL
InChI Key	LVYIYYGXSDQMMQ-HMIZNXJWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1765.1

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C83H121N21O20S
MW	1765.08

Activity Summary

Kd 3 meas. best 9.24

IC50 2 meas. best 9.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
B-cell lymphoma 6 protein CHEMBL4105786	Kd	9.24	9.24	0.6	3
B-cell lymphoma 6 protein CHEMBL4105786	IC50	9.0	9.0	1.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
B-cell lymphoma 6 protein	Kd	=	0.57	nM	9.24	Binding affinity to biotinylated BCL6 (unknown origin) by SPR analysis	28760529
B-cell lymphoma 6 protein	Kd	=	0.57	nM	9.24	Inhibition of BCOR binding to recombinant biotinylated SUMO-tagged BCL6 BTB doma...	28471657
B-cell lymphoma 6 protein	Kd	=	0.57	nM	9.24	Binding affinity to human BCL6 BTP domain assessed as dissociation constant by S...	33844535
B-cell lymphoma 6 protein	IC50	=	1.0	nM	9.0	Inhibition of C-terminal biotin-labelled BCoR (Arg498 to 514Pro residues) bindin...	28760529
B-cell lymphoma 6 protein	IC50	=	1.0	nM	9.0	Inhibition of human BCL6 BTP domain by ELISA assay	33844535

Literature References

PubMed	DOI	Target Context	# Activities
28760529	10.1016/j.bmc.2017.07.037	B-cell lymphoma 6 protein	2
33844535	10.1021/acs.jmedchem.0c01686	B-cell lymphoma 6 protein	2
28471657	10.1021/acs.jmedchem.7b00313	B-cell lymphoma 6 protein	1

Data from ChEMBL 36 via Core Engine