Compound Detail

CHEMBL3600956

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CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)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](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3600956
Phase	Preclinical
Structure Type	BOTH
InChI Key	WPOFBSGBXIVYSM-PVXCZFRNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2636.0

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C119H183N33O33S
MW	2636.04

Activity Summary

IC50 2 meas. best 7.23

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Envelope glycoprotein gp160 CHEMBL3520	IC50	7.23	7.23	58.8	1
Human immunodeficiency virus 1 CHEMBL378	IC50	7.06	7.06	86.7	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Envelope glycoprotein gp160	IC50	=	58.79	nM	7.23	Inhibition of HIV-1 HXB2 gp41 N-terminal heptad repeat-mediated fusion between i...	26256053
Human immunodeficiency virus 1	IC50	=	86.65	nM	7.06	Antiviral activity against HIV1 NL4-3 pseudovirus infected in human TZM-bl cells...	26256053

Literature References

PubMed	DOI	Target Context	# Activities
26256053	10.1021/acs.jmedchem.5b00109	Envelope glycoprotein gp160	2
26256053	10.1021/acs.jmedchem.5b00109	Human immunodeficiency virus 1	1

Data from ChEMBL 36 via Core Engine