Compound Detail

CHEMBL209257

LADANEIN

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COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL209257
Name	LADANEIN
Phase	Preclinical
Structure Type	MOL
InChI Key	UUQJTIHOVGMQIH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

314.3

MW (Da)

2.89

ALogP

HBA

HBD

89.1

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 5.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	5.05	5.05	9000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	9000.0	nM	5.05	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54	16722653
Plasmodium falciparum	IC50	=	9000.0	nM	5.05	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54	20637612

PubMed	DOI	Target Context	# Activities
26523667	10.1016/j.ejmech.2015.10.039	No relevant target	5
26523667	10.1016/j.ejmech.2015.10.039	Plasma	4
16722653	10.1021/jm0600545	Plasmodium falciparum	2
26523667	10.1016/j.ejmech.2015.10.039	NON-PROTEIN TARGET	2
16722653	10.1021/jm0600545	Fatty acid synthase	1
16722653	10.1021/jm0600545	Enoyl-acyl-carrier protein reductase	1
16722653	10.1021/jm0600545	3-oxoacyl-acyl-carrier protein reductase	1
17287127	10.1016/j.bmc.2007.01.035	Tyrosinase	1
11374950	10.1021/np000607t	NON-PROTEIN TARGET	1
11374950	10.1021/np000607t	HT-1080	1
20637612	10.1016/j.bmcl.2010.06.120	Plasmodium falciparum	1
20637612	10.1016/j.bmcl.2010.06.120	Enoyl-acyl-carrier protein reductase	1

Data from ChEMBL 36 via Core Engine