Compound Detail

CHEMBL241637

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c1ccc(Oc2ccc(-c3cc(N4CCOCC4)on3)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL241637
Phase	Preclinical
Structure Type	MOL
InChI Key	QCUWZEDNSFYDMG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

322.4

MW (Da)

3.97

ALogP

HBA

HBD

47.7

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 5.23

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	5.23	4.675	5900.0	2
Plasmodium falciparum CHEMBL364	IC50	4.98	4.98	10500.0	1
Leishmania donovani CHEMBL367	IC50	4.9	4.9	12700.0	1
Trypanosoma cruzi CHEMBL368	IC50	4.33	4.33	46500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei rhodesiense	IC50	=	5900.0	nM	5.23	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 in blood	17949068
Plasmodium falciparum	IC50	=	10500.0	nM	4.98	Antiparasitic activity against chloroquine, pyrimethamine-resistant Plasmodium f...	17949068
Leishmania donovani	IC50	=	12700.0	nM	4.9	Antiparasitic activity against Leishmania donovani MHOM-ET-67/L82 in amastigotes...	17949068
Trypanosoma cruzi	IC50	=	46500.0	nM	4.33	Antiparasitic activity against Trypanosoma cruzi Tulahuen T4 in amastigotes stag...	17949068
Trypanosoma brucei rhodesiense	IC50	=	75200.0	nM	4.12	Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 in procycl...	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