Compound Detail

CHEMBL4751427

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Free Research Context This compound will appear in recent viewed items on the research home for this browser.

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4751427
Phase	Preclinical
Structure Type	MOL
InChI Key	FSFGUIPLHFBYIB-FYIPUUIRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1214.3

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C48H87N21O16
MW	1214.35

Activity Summary

Kd 2 meas. best 4.41

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
ATPase family AAA domain-containing protein 2 CHEMBL2150837	Kd	4.41	4.41	38900.0	1
ATPase family AAA domain-containing protein 2B CHEMBL2176775	Kd	4.37	4.37	42500.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
ATPase family AAA domain-containing protein 2	Kd	=	38900.0	nM	4.41	Binding affinity to human ATAD2 BRD assessed as dissociation constant by isother...	38733345
ATPase family AAA domain-containing protein 2B	Kd	=	42500.0	nM	4.37	Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expre...	33084328

Literature References

PubMed	DOI	Target Context	# Activities
33084328	10.1021/acs.jmedchem.0c01178	ATPase family AAA domain-containing protein 2B	2
33084328	10.1021/acs.jmedchem.0c01178	Unchecked	2
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