Compound Detail

CHEMBL564927

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CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CS)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL564927
Phase	Preclinical
Structure Type	BOTH
InChI Key	WDPCAJUINULRTF-ZYILZQAOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2344.7

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C106H158N24O32S2
MW	2344.70

Activity Summary

Ki 1 meas. best 6.22

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	6.22	6.22	600.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	600.0	nM	6.22	Displacement of C18-Aib-lucifer yellow from HIV1 envelope glycoprotein gp41 Fe(e...	19534533

Literature References

PubMed	DOI	Target Context	# Activities
19534533	10.1021/jm900190q	Unchecked	1

Data from ChEMBL 36 via Core Engine