Compound Detail

CHEMBL2023369

DAPHNETOXIN

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](c5ccccc5)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2023369
Name	DAPHNETOXIN
Phase	Preclinical
Structure Type	MOL
InChI Key	LGEROVMQYFTBDI-FFIGBMOQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

482.5

MW (Da)

1.33

ALogP

HBA

HBD

118.0

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

EC50 4 meas. best 7.79

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus 1 CHEMBL378	EC50	7.79	7.675	16.2	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus 1	EC50	=	16.2	nM	7.79	Antiviral activity against CXCR4-tropic HIV1 NL4-3 infected in HEK293T cells ass...	22148316
Human immunodeficiency virus 1	EC50	=	21.0	nM	7.68	Antiviral activity against multidrug-resistant HIV1 695-RT infected in HEK293T c...	22148316
Human immunodeficiency virus 1	EC50	=	22.0	nM	7.66	Antiviral activity against multidrug-resistant HIV1 106-PR infected in HEK293T c...	22148316
Human immunodeficiency virus 1	EC50	=	26.7	nM	7.57	Antiviral activity against CCR5-tropic HIV1 NL-AD87 infected in HEK293T cells as...	22148316

PubMed	DOI	Target Context	# Activities
22148316	10.1021/np200855d	Human immunodeficiency virus 1	8
22148316	10.1021/np200855d	PBMC	3
22148316	10.1021/np200855d	HEK-293T	1

Data from ChEMBL 36 via Core Engine