Compound Detail

CHEMBL5289142

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CCS(=O)(=O)Cc1cc2c(cc1C(=O)NCCCCCCCCCCC(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(-c3scnc3C)cc1)C(C)(C)C)N(c1ncc(F)cc1F)Cc1c[nH]c3c(=O)n(C)cc-2c13

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5289142
Phase	Preclinical
Structure Type	MOL
InChI Key	XIQDRWXVMXGCCD-LQLVTDSRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1110.4

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C57H69F2N9O8S2
MW	1110.36

Activity Summary

IC50 2 meas. best 10.7

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
EOL1 CHEMBL614489	IC50	10.7	10.7	0.0	1
HL-60 CHEMBL383	IC50	10.52	10.52	0.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
EOL1	IC50	=	0.02	nM	10.7	Antiproliferative activity against human EOL1 cells assessed as inhibition of ce...	36202064
HL-60	IC50	=	0.03	nM	10.52	Antiproliferative activity against human HL-60 cells assessed as inhibition of c...	36202064

Literature References

PubMed	DOI	Target Context	# Activities
36202064	10.1016/j.bmc.2022.117033	Bromodomain-containing protein 4	2
36202064	10.1016/j.bmc.2022.117033	EOL1	1
36202064	10.1016/j.bmc.2022.117033	HL-60	1

Data from ChEMBL 36 via Core Engine