Compound Detail

CHEMBL393396

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CCCCN(CCCC)c1c(Cl)cc(S(=O)(=O)Nc2ccccc2)cc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL393396
Phase	Preclinical
Structure Type	MOL
InChI Key	AZIIDWYJBQBFKY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

429.4

MW (Da)

6.20

ALogP

HBA

HBD

49.4

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei brucei CHEMBL612851	IC50	5.8	5.8	1600.0	1
Unchecked CHEMBL612545	IC50	5.04	5.04	9100.0	1
Leishmania donovani CHEMBL367	IC50	4.96	4.96	11000.0	1
Vero CHEMBL391	IC50	4.72	4.72	19000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei brucei	IC50	=	1600.0	nM	5.8	Growth inhibition against Trypanosoma brucei brucei	17618122
Unchecked	IC50	=	9100.0	nM	5.04	Inhibition of Leishmania tarentolae tubulin assembly	17618122
Leishmania donovani	IC50	=	11000.0	nM	4.96	Growth inhibition against Leishmania donovani	17618122
Vero	IC50	=	19000.0	nM	4.72	Toxicity against monkey Vero cells	17618122

PubMed	DOI	Target Context	# Activities
17618122	10.1016/j.bmc.2007.06.042	Unchecked	1
17618122	10.1016/j.bmc.2007.06.042	Tubulin	1
17618122	10.1016/j.bmc.2007.06.042	Leishmania donovani	1
17618122	10.1016/j.bmc.2007.06.042	Trypanosoma brucei brucei	1
17618122	10.1016/j.bmc.2007.06.042	Vero	1

Data from ChEMBL 36 via Core Engine