Compound Detail

CHEMBL241633

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CSC(=CC(=O)c1ccc(Oc2ccccc2)cc1)SC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL241633
Phase	Preclinical
Structure Type	MOL
InChI Key	UEXLDWFUJGYMIM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

316.4

MW (Da)

5.23

ALogP

HBA

HBD

26.3

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.01

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Leishmania donovani CHEMBL367	IC50	5.01	5.01	9700.0	1
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	4.78	4.535	16600.0	2
Trypanosoma cruzi CHEMBL368	IC50	4.61	4.61	24400.0	1
L6 CHEMBL614793	IC50	4.46	4.46	34500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Leishmania donovani	IC50	=	9700.0	nM	5.01	Antiparasitic activity against Leishmania donovani MHOM-ET-67/L82 in amastigotes...	17949068
Trypanosoma brucei rhodesiense	IC50	=	16600.0	nM	4.78	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 in procycl...	17949068
Trypanosoma cruzi	IC50	=	24400.0	nM	4.61	Antiparasitic activity against Trypanosoma cruzi Tulahuen T4 in amastigotes stag...	17949068
L6	IC50	=	34500.0	nM	4.46	Cytotoxicity against rat L6 cells	17949068
Trypanosoma brucei rhodesiense	IC50	=	51400.0	nM	4.29	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 in blood	17949068

PubMed	DOI	Target Context	# Activities
17949068	10.1021/jm700938n	Trypanosoma brucei rhodesiense	2
17949068	10.1021/jm700938n	Trypanosoma cruzi	1
17949068	10.1021/jm700938n	Leishmania donovani	1
17949068	10.1021/jm700938n	Plasmodium falciparum	1
17949068	10.1021/jm700938n	L6	1

Data from ChEMBL 36 via Core Engine