Compound Detail

CHEMBL5186029

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CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5186029
Phase	Preclinical
Structure Type	MOL
InChI Key	HKCHNSKAYJJTCD-YEMGZYJESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1728.1

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C86H130N22O16
MW	1728.12

Activity Summary

EC50 2 meas. best 5.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma cruzi CHEMBL368	EC50	5.96	5.96	1090.0	1
LLC-MK2 CHEMBL614691	EC50	5.02	5.02	9600.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma cruzi	EC50	=	1090.0	nM	5.96	Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i...	35933786
LLC-MK2	EC50	=	9600.0	nM	5.02	Cytotoxicity against monkey LLC-MK2 cells assessed as reduction in cell viabilit...	35933786

Literature References

PubMed	DOI	Target Context	# Activities
35933786	10.1016/j.ejmech.2022.114624	LLC-MK2	1
35933786	10.1016/j.ejmech.2022.114624	Trypanosoma cruzi	1
35933786	10.1016/j.ejmech.2022.114624	ADMET	1

Data from ChEMBL 36 via Core Engine