Compound Detail

CHEMBL507515

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL507515
Phase	Preclinical
Structure Type	MOL
InChI Key	GRIBPPOJHRANAW-ZRWVYPOVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

607.8

MW (Da)

5.58

ALogP

HBA

HBD

109.8

PSA (Å²)

0.28

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.14

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	8.14	7.7375	7.2	4

Parameter	Value	Units	Species
T1/2	0.8167	hr	Homo sapiens
T1/2	0.2833	hr	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	7.19	nM	8.14	Antimalarial activity against chloroquine-resistant, mefloquine-sensitive Plasmo...	18550377
Plasmodium falciparum	IC50	=	17.29	nM	7.76	Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium...	18550377
Plasmodium falciparum	IC50	=	25.13	nM	7.6	Antimalarial activity against mefloquine, chloroquine and quinine-resistant Plas...	18550377
Plasmodium falciparum	IC50	=	35.54	nM	7.45	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	NON-PROTEIN TARGET	3
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