Compound Detail

CHEMBL1862905

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CC(C)(C)C(=O)N1CCN(C(c2cccnc2)c2ccc(Cl)cc2F)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1862905
Phase	Preclinical
Structure Type	MOL
InChI Key	PHURSCYDIHRUEG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

389.9

MW (Da)

4.15

ALogP

HBA

HBD

36.4

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma cruzi CHEMBL368	IC50	7.72	7.72	19.0	2
Cytochrome P450 3A4/3A5 CHEMBL2111472	IC50	6.0	6.0	1000.0	1
L6 CHEMBL614793	IC50	4.22	4.22	60000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma cruzi	IC50	=	19.0	nM	7.72	DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Cl...	-
Trypanosoma cruzi	IC50	=	19.0	nM	7.72	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen TcVI extracellular ...	23462713
Cytochrome P450 3A4/3A5	IC50	=	1000.0	nM	6.0	Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testos...	23462713
L6	IC50	=	60270.0	nM	4.22	DNDI: Cytotoxicity against L-6 rat myoblasts from skeletal muscle cells	-
L6	IC50	=	60000.0	nM	4.22	Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay	23462713

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL1862790	Trypanosoma cruzi	2
-	10.6019/CHEMBL1862790	L6	1
23462713	10.1016/j.bmc.2013.01.050	Cytochrome P450 3A4/3A5	1
23462713	10.1016/j.bmc.2013.01.050	No relevant target	1
23462713	10.1016/j.bmc.2013.01.050	Unchecked	1
23462713	10.1016/j.bmc.2013.01.050	L6	1
23462713	10.1016/j.bmc.2013.01.050	Trypanosoma cruzi	1

Data from ChEMBL 36 via Core Engine