Compound Detail

CHEMBL5563291

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CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5563291
Phase	Preclinical
Structure Type	MOL
InChI Key	LOKCGSJDTWNGGV-LVWNWUELSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2517.9

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C105H189N43O29
MW	2517.94

Activity Summary

Kd 2 meas. best 4.64

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
ATPase family AAA domain-containing protein 2B CHEMBL2176775	Kd	4.64	4.64	22800.0	1
ATPase family AAA domain-containing protein 2 CHEMBL2150837	Kd	4.18	4.18	65600.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
ATPase family AAA domain-containing protein 2B	Kd	=	22800.0	nM	4.64	Binding affinity to human ATAD2B BRD assessed as dissociation constant by isothe...	38733345
ATPase family AAA domain-containing protein 2	Kd	=	65600.0	nM	4.18	Binding affinity to human ATAD2 BRD assessed as dissociation constant by isother...	38733345

Literature References

PubMed	DOI	Target Context	# Activities
38733345	10.1021/acs.jmedchem.4c00210	ATPase family AAA domain-containing protein 2	1
38733345	10.1021/acs.jmedchem.4c00210	ATPase family AAA domain-containing protein 2B	1

Data from ChEMBL 36 via Core Engine