Compound Detail

CHEMBL1644658

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CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(O)cc21.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1644658
Phase	Preclinical
Structure Type	MOL
InChI Key	TUGZRFDQUHLPLH-UHFFFAOYSA-N
Parent Compound	CHEMBL565456
Active Moiety	CHEMBL565456

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

279.4

MW (Da)

4.59

ALogP

HBA

HBD

23.5

PSA (Å²)

0.87

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	7.89	7.89	13.0	1
Trypanosoma brucei CHEMBL612849	IC50	7.42	7.42	38.0	1
L6 CHEMBL614793	IC50	4.96	4.96	11000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei rhodesiense	IC50	=	13.0	nM	7.89	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi...	21112788
Trypanosoma brucei	IC50	=	38.0	nM	7.42	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei s427 af...	21112788
L6	IC50	=	11000.0	nM	4.96	Cytotoxicity against rat L6 cells after 70 hrs by alamar blue assay	21112788

PubMed	DOI	Target Context	# Activities
21112788	10.1016/j.bmc.2010.11.003	Trypanosoma brucei rhodesiense	2
21112788	10.1016/j.bmc.2010.11.003	Trypanosoma brucei	1
21112788	10.1016/j.bmc.2010.11.003	L6	1
21112788	10.1016/j.bmc.2010.11.003	No relevant target	1

Data from ChEMBL 36 via Core Engine