Compound Detail

CHEMBL5571243

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Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(N3CCN(Cc4ccc(-c5c6ncn(CC7(O)CCN(C(=O)C[C@@H](C)c8ccccc8)CC7)c(=O)c6nn5C)cc4)CC3)no2)C(C)C)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5571243
Phase	Preclinical
Structure Type	MOL
InChI Key	ZCAILYLCWKWLIC-APKAJERZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1064.3

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C58H69N11O7S
MW	1064.33

Activity Summary

IC50 2 meas. best 9.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RS4-11 CHEMBL2366159	IC50	9.3	9.3	0.5	1
REH CHEMBL2366320	IC50	8.08	8.08	8.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RS4-11	IC50	=	0.5	nM	9.3	Antiproliferative activity against human RS4-11 cells with wild type p53 assesse...	39028938
REH	IC50	=	8.3	nM	8.08	Antiproliferative activity against human REH cells with wild type p53 assessed a...	39028938

Literature References

PubMed	DOI	Target Context	# Activities
39028938	10.1021/acs.jmedchem.4c01134	RS4-11	24
39028938	10.1021/acs.jmedchem.4c01134	von Hippel-Lindau disease tumor suppressor/Ubiquitin carboxyl-terminal hydrolase 7	14
39028938	10.1021/acs.jmedchem.4c01134	Unchecked	2
39028938	10.1021/acs.jmedchem.4c01134	ADMET	2
39028938	10.1021/acs.jmedchem.4c01134	REH	1

Data from ChEMBL 36 via Core Engine