Compound Detail

CHEMBL4740349

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C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCn2cc(nn2)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4740349
Phase	Preclinical
Structure Type	MOL
InChI Key	OWADHXWVWKUGPZ-XYAWJDEWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2290.5

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C88H157FN48O24
MW	2290.53

Activity Summary

IC50 1 meas. best 8.13

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Kelch-like ECH-associated protein 1 CHEMBL2069156	IC50	8.13	8.13	7.4	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Kelch-like ECH-associated protein 1	IC50	=	7.4	nM	8.13	Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for...	33065433

Literature References

PubMed	DOI	Target Context	# Activities
33065433	10.1016/j.bmc.2020.115738	Kelch-like ECH-associated protein 1	3

Data from ChEMBL 36 via Core Engine