Compound Detail

CHEMBL108323

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CCCCCCCCCCCCNCCN

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL108323
Phase	Preclinical
Structure Type	MOL
InChI Key	QCENGKPIBJNODL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

228.4

MW (Da)

3.46

ALogP

HBA

HBD

38.0

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.7

EC50 1 meas. best 6.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Leishmania chagasi CHEMBL612790	IC50	6.7	6.7	200.0	1
Leishmania amazonensis CHEMBL612877	IC50	6.03	6.03	940.0	1
HL-60 CHEMBL383	EC50	6.0	6.0	1000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Leishmania chagasi	IC50	=	200.0	nM	6.7	Antiprotozoal activity against Leishmania chagasi measured after 3 days by MTT a...	28886510
Leishmania amazonensis	IC50	=	940.0	nM	6.03	Antiprotozoal activity against Leishmania amazonensis measured after 3 days by M...	28886510
HL-60	EC50	=	1000.0	nM	6.0	-log of the half-maximal concentration for stimulation of GTPase in HL-60 membra...	9301677

PubMed	DOI	Target Context	# Activities
9301677	10.1021/jm9703092	HL-60	2
26649907	10.1016/j.ejmech.2015.11.037	No relevant target	1
26649907	10.1016/j.ejmech.2015.11.037	Mycobacterium tuberculosis	1
28886510	10.1016/j.ejmech.2017.08.014	Leishmania chagasi	1
28886510	10.1016/j.ejmech.2017.08.014	Leishmania amazonensis	1

Data from ChEMBL 36 via Core Engine