Compound Detail

CHEMBL5401840

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Cc1ccc(-n2nc(C(=O)N3C[C@H](C)N(C(=O)c4nc(-c5ccc6c(c5)N(Cc5ccccc5)[C@H](C)C(=O)N6C)n(-c5ccc(C)cc5)n4)C[C@H]3C)nc2-c2ccc3c(c2)N(Cc2ccccc2)[C@H](C)C(=O)N3C)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5401840
Phase	Preclinical
Structure Type	MOL
InChI Key	VMMBNXZGDAXEEF-SZRGUQLDSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1013.2

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C60H60N12O4
MW	1013.22

Activity Summary

IC50 2 meas. best 8.95

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Ty-82 CHEMBL5465452	IC50	8.95	8.95	1.1	1
MM1.S CHEMBL4296471	IC50	8.75	8.75	1.8	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ty-82	IC50	=	1.12	nM	8.95	Antiproliferative activity against human Ty-82 cells incubated for 72 hrs by sul...	35714446
MM1.S	IC50	=	1.77	nM	8.75	Antiproliferative activity against human MM1.S cells incubated for 72 hrs by sul...	35714446

Literature References

PubMed	DOI	Target Context	# Activities
35714446	10.1016/j.ejmech.2022.114519	Ty-82	1
35714446	10.1016/j.ejmech.2022.114519	MM1.S	1

Data from ChEMBL 36 via Core Engine