Compound Detail

CHEMBL510410

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CC(=O)O[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3CC4(CC[C@@]32C)OOC(C)(C)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)NN)[C@@]12C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL510410
Phase	Preclinical
Structure Type	MOL
InChI Key	IKIZTXSQBBIFGK-VZDSLEPXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

594.8

MW (Da)

4.48

ALogP

HBA

HBD

144.6

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	8.15	7.76	7.0	4

Parameter	Value	Units	Species
t1/2	-	-	Homo sapiens
t1/2	-	-	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	7.03	nM	8.15	Antimalarial activity against chloroquine-resistant, mefloquine-sensitive Plasmo...	18550377
Plasmodium falciparum	IC50	=	16.36	nM	7.79	Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium...	18550377
Plasmodium falciparum	IC50	=	28.47	nM	7.55	Antimalarial activity against mefloquine, chloroquine and quinine-resistant Plas...	18550377
Plasmodium falciparum	IC50	=	28.1	nM	7.55	Antimalarial activity against chloroquine and pyrimethamine-sensitive Plasmodium...	18550377

PubMed	DOI	Target Context	# Activities
18550377	10.1016/j.bmc.2008.05.017	Plasmodium falciparum	8
18550377	10.1016/j.bmc.2008.05.017	Liver microsomes	1
18550377	10.1016/j.bmc.2008.05.017	ADMET	1

Data from ChEMBL 36 via Core Engine