Compound Detail

CHEMBL5087988

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CC[C@H](C)[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)CCCC[C@H](N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(=O)N(C)[C@@H](C)C(=O)N1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5087988
Phase	Preclinical
Structure Type	MOL
InChI Key	ALSGWVXTKBXFEL-JPJFXSLNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1183.6

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C62H106N10O12
MW	1183.59

Activity Summary

IC50 2 meas. best 7.72

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
U-87 MG CHEMBL614247	IC50	7.72	7.72	19.0	1
A549 CHEMBL392	IC50	6.38	6.38	420.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
U-87 MG	IC50	=	19.0	nM	7.72	Antiproliferative activity against human U-87 MG cells expressing GLuc assessed ...	37849553
A549	IC50	=	420.0	nM	6.38	Cytotoxicity against human A549 cells assessed as cell growth inhibition incubat...	35059129

Literature References

PubMed	DOI	Target Context	# Activities
37849553	10.1021/acsmedchemlett.3c00232	U-87 MG	5
37849553	10.1021/acsmedchemlett.3c00232	Unchecked	2
35059129	10.1021/acsmedchemlett.1c00591	A549	1
37849553	10.1021/acsmedchemlett.3c00232	A549	1
37849553	10.1021/acsmedchemlett.3c00232	HCT-116	1
37849553	10.1021/acsmedchemlett.3c00232	NHDF	1

Data from ChEMBL 36 via Core Engine