Compound Detail

CHEMBL2368645

Enter ChEMBL ID:

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

Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(SCc2ccccc2)o1.[O-][Cl+3]([O-])([O-])[O-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2368645
Phase	Preclinical
Structure Type	MOL
InChI Key	KBROBKDEQDUBHZ-UHFFFAOYSA-M
Parent Compound	CHEMBL1198175
Active Moiety	CHEMBL1198175

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

466.6

MW (Da)

5.89

ALogP

HBA

HBD

26.0

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.34

IC50 1 meas. best 7.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium yoelii CHEMBL612889	IC50	7.47	7.47	33.5	1
Plasmodium falciparum CHEMBL364	EC50	6.34	6.275	456.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium yoelii	IC50	=	33.5	nM	7.47	NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium ...	22096101
Plasmodium falciparum	EC50	=	456.0	nM	6.34	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati...	18579783
Plasmodium falciparum	EC50	=	621.0	nM	6.21	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ...	18579783

PubMed	DOI	Target Context	# Activities
22096101	10.1126/science.1211936	Plasmodium yoelii	3
18579783	10.1073/pnas.0802982105	Plasmodium falciparum	2
18579783	10.1073/pnas.0802982105	Unchecked	1
18579783	10.1073/pnas.0802982105	Huh-7	1

Data from ChEMBL 36 via Core Engine