Compound Detail

CHEMBL520530

ANHYDRODIHYDROARTEMISININ

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL520530
Name	ANHYDRODIHYDROARTEMISININ
Phase	Preclinical
Structure Type	MOL
InChI Key	UKXCIQFCSITOCY-IONOKRPISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

266.3

MW (Da)

3.14

ALogP

HBA

HBD

36.9

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 11 meas. best 7.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	7.8	7.6967	15.8	3
Cryptococcus neoformans CHEMBL365	IC50	6.52	6.52	300.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.54	4.54	29200.0	2
Leishmania donovani CHEMBL367	IC50	4.52	4.52	30000.0	1
SK-HEP1 CHEMBL614912	IC50	4.52	4.52	30000.0	1
Mycobacterium intracellulare CHEMBL612640	IC50	4.25	4.25	56320.0	1
Pichia kudriavzevii CHEMBL612841	IC50	4.25	4.25	56320.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	15.8	nM	7.8	Antiplasmodial activity against Plasmodium falciparum D6 infected in RBCs by par...	19879765
Plasmodium falciparum	IC50	=	20.0	nM	7.7	In vitro inhibitory concentration against chloroquine-resistant Plasmodium falci...	14998331
Plasmodium falciparum	IC50	=	25.5	nM	7.59	Antiplasmodial activity against Plasmodium falciparum W2 infected in RBCs by par...	19879765
Cryptococcus neoformans	IC50	=	300.0	nM	6.52	Antifungal activity against Cryptococcus neoformans ATCC 90113 by modified CLSI/...	19879765
NON-PROTEIN TARGET	IC50	=	29200.0	nM	4.54	Cytotoxicity against mouse Ehrlich Ascites carcinoma by trypan blue exclusion as...	17618015
NON-PROTEIN TARGET	IC50	=	29200.0	nM	4.54	Cytotoxicity against mouse EAC after 3 days by MTT assay	8350087
Leishmania donovani	IC50	=	30000.0	nM	4.52	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs ...	19879765
SK-HEP1	IC50	=	30000.0	nM	4.52	Cytotoxicity against human SKHEP1 cells after 72 hrs by formazan test	23685181
Mycobacterium intracellulare	IC50	=	56320.0	nM	4.25	Antibacterial activity against Mycobacterium intracellular ATCC 23068 by Franzbl...	19879765
Pichia kudriavzevii	IC50	=	56320.0	nM	4.25	Antifungal activity against Candida krusei ATCC 6258 by modified CLSI/NCCLS meth...	19879765

PubMed	DOI	Target Context	# Activities
2657065	10.1021/jm00126a017	Plasmodium berghei	7
23685181	10.1016/j.bmc.2013.04.059	NON-PROTEIN TARGET	6
23685181	10.1016/j.bmc.2013.04.059	ADMET	4
14998331	10.1021/jm030947m	Mus musculus	3
2657065	10.1021/jm00126a017	Plasmodium falciparum	2
19879765	10.1016/j.bmc.2009.10.019	Staphylococcus aureus	2
19879765	10.1016/j.bmc.2009.10.019	Plasmodium falciparum	2
19879765	10.1016/j.bmc.2009.10.019	Leishmania donovani	2
19879765	10.1016/j.bmc.2009.10.019	Unchecked	2
8350087	10.1021/np50096a007	NON-PROTEIN TARGET	2
16124777	10.1021/np050074u	Cryptococcus neoformans	2
16124777	10.1021/np050074u	Candida albicans	2
17618015	10.1016/j.ejmech.2007.04.019	NON-PROTEIN TARGET	2
19879765	10.1016/j.bmc.2009.10.019	Mycobacterium intracellulare	1
19879765	10.1016/j.bmc.2009.10.019	Pichia kudriavzevii	1
19879765	10.1016/j.bmc.2009.10.019	Cryptococcus neoformans	1
19879765	10.1016/j.bmc.2009.10.019	Pseudomonas aeruginosa	1
23685181	10.1016/j.bmc.2013.04.059	HepG2	1
19879765	10.1016/j.bmc.2009.10.019	Aspergillus fumigatus	1
19879765	10.1016/j.bmc.2009.10.019	Nakaseomyces glabratus	1

Data from ChEMBL 36 via Core Engine