Compound Detail

CHEMBL471282

AVICULARIN

Enter ChEMBL ID:

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

O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL471282
Name	AVICULARIN
Phase	Preclinical
Structure Type	MOL
InChI Key	BDCDNTVZSILEOY-UXYNSRGZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

434.4

MW (Da)

0.10

ALogP

HBA

HBD

190.3

PSA (Å²)

0.28

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 6 meas. best 5.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nonstructural protein 5 CHEMBL4295629	IC50	5.77	5.77	1700.0	1
Dengue virus CHEMBL613757	IC50	5.77	5.77	1700.0	1
Fatty acid synthase CHEMBL1795136	IC50	5.21	5.21	6150.0	1
Aldo-keto reductase family 1 member B1 CHEMBL1900	IC50	4.72	4.72	19050.0	1
Dolichospermum flos-aquae CHEMBL614614	IC50	4.55	4.55	28000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dengue virus	IC50	=	1700.0	nM	5.77	Antiviral activity against Dengue virus assessed as inhibition of viral replicat...	25305334
Nonstructural protein 5	IC50	=	1700.0	nM	5.77	Inhibition of DENV/NS5 RNA-dependent RNA polymerase	37159959
Fatty acid synthase	IC50	=	6150.0	nM	5.21	Inhibition of chicken liver FASN	21726077
Aldo-keto reductase family 1 member B1	IC50	=	19050.0	nM	4.72	Inhibition of human recombinant aldose reductase using D-glyceraldehyde as subst...	22261024
Dolichospermum flos-aquae	IC50	=	28000.0	nM	4.55	Antialgal activity against Anabaena flos-aquae NIES 73 after 48 hrs by fluoropho...	-

PubMed	DOI	Target Context	# Activities
25862199	10.1016/j.bmcl.2015.03.058	No relevant target	6
25862199	10.1016/j.bmcl.2015.03.058	NON-PROTEIN TARGET	1
37159959	10.1016/j.ejmech.2023.115416	Nonstructural protein 5	1
32249116	10.1016/j.bmcl.2020.127142	Transient receptor potential cation channel subfamily A member 1	1
31427220	10.1016/j.bmcl.2019.07.048	Aspergillus fumigatus	1
31427220	10.1016/j.bmcl.2019.07.048	Candida parapsilosis	1
31427220	10.1016/j.bmcl.2019.07.048	Candida albicans	1
25862199	10.1016/j.bmcl.2015.03.058	HeLa	1
25862199	10.1016/j.bmcl.2015.03.058	A549	1
3379415	10.1021/np50056a030	Xanthine dehydrogenase/oxidase	1
25305334	10.1016/j.ejmech.2014.10.010	Dengue virus	1
21726077	10.1021/jm2005805	Fatty acid synthase	1
22261024	10.1016/j.bmc.2011.12.033	Aldo-keto reductase family 1 member B1	1
-	10.1021/np50066a004	Dolichospermum flos-aquae	1
-	10.1021/np50066a004	Microcystis aeruginosa	1
15568778	10.1021/np040024+	MCF7	1
15568778	10.1021/np040024+	A549	1
8882428	10.1021/np960057s	Monocyte	1

Data from ChEMBL 36 via Core Engine