Compound Detail

CHEMBL393934

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CC(C)NC(=N)c1ccc2cc(CCCCc3cc4ccc(C(=N)NC(C)C)cc4o3)oc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL393934
Phase	Preclinical
Structure Type	MOL
InChI Key	UFDDHKYOCXDAKT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

458.6

MW (Da)

6.39

ALogP

HBA

HBD

98.0

PSA (Å²)

0.13

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.12

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	7.12	7.12	76.0	1
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	7.09	7.09	82.0	1
Leishmania donovani CHEMBL367	IC50	5.41	5.41	3870.0	1
L6 CHEMBL614793	IC50	4.55	4.55	27900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	76.0	nM	7.12	Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1	17948982
Trypanosoma brucei rhodesiense	IC50	=	82.0	nM	7.09	Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900	17948982
Leishmania donovani	IC50	=	3870.0	nM	5.41	Antitrypanosomal activity against Leishmania donovani (MHOM/SD/62/1S-CL2D) axeni...	17948982
L6	IC50	=	27900.0	nM	4.55	Cytotoxicity against rat L6 cells	17948982

PubMed	DOI	Target Context	# Activities
17948982	10.1021/jm0708634	Unchecked	4
17948982	10.1021/jm0708634	L6	1
17948982	10.1021/jm0708634	Trypanosoma brucei rhodesiense	1
17948982	10.1021/jm0708634	Plasmodium falciparum	1
17948982	10.1021/jm0708634	Leishmania donovani	1

Data from ChEMBL 36 via Core Engine