Compound Detail

CHEMBL478261

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COc1ccc(/C=C/C(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL478261
Phase	Preclinical
Structure Type	MOL
InChI Key	GTTCJPIOYIDBOP-VQHVLOKHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

387.5

MW (Da)

2.61

ALogP

HBA

HBD

72.9

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.69

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	5.69	5.69	2060.0	2
Leishmania braziliensis CHEMBL612878	IC50	5.23	5.23	5900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	2060.0	nM	5.69	Antimalarial activity against CQ-resistant Plasmodium falciparum W2	25137491
Plasmodium falciparum	IC50	=	2060.0	nM	5.69	Anti-parasitic activity against chloroquine-resistant Plasmodium falciparum W2	26188621
Leishmania braziliensis	IC50	=	5900.0	nM	5.23	Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2904 promas...	18554753

PubMed	DOI	Target Context	# Activities
18554753	10.1016/j.ejmech.2008.04.016	Leishmania braziliensis	2
18554753	10.1016/j.ejmech.2008.04.016	Trypanosoma cruzi	1
18554753	10.1016/j.ejmech.2008.04.016	ADMET	1
25137491	10.1016/j.ejmech.2014.08.033	Plasmodium falciparum	1
26188621	10.1016/j.ejmech.2015.06.052	NON-PROTEIN TARGET	1
26188621	10.1016/j.ejmech.2015.06.052	Plasmodium falciparum	1

Data from ChEMBL 36 via Core Engine