Compound Detail

CHEMBL2323928

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O=CN(O)CCC(c1cccnc1)P(=O)(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2323928
Phase	Preclinical
Structure Type	MOL
InChI Key	CVCNQONUMOHOGB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

260.2

MW (Da)

0.54

ALogP

HBA

HBD

111.0

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 7.89

EC50 2 meas. best 6.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	7.89	7.4033	13.0	3
Plasmodium falciparum CHEMBL364	EC50	6.75	6.61	180.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	13.0	nM	7.89	Inhibition of Plasmodium falciparum recombinant DXR using DXP as substrate prein...	23795240
Unchecked	Ki	=	55.0	nM	7.26	Inhibition of recombinant Toxoplasma gondii DXR catalytic domain (68 to 513) exp...	23428849
Unchecked	Ki	=	87.0	nM	7.06	Inhibition of Escherichia coli recombinant DXR using DXP as substrate preincubat...	23795240
Plasmodium falciparum	EC50	=	180.0	nM	6.75	Antimalarial activity against Plasmodium falciparum Dd2 after 3 days by SYBR gre...	23795240
Plasmodium falciparum	EC50	=	340.0	nM	6.47	Antimalarial activity against Plasmodium falciparum 3D7 after 3 days by SYBR gre...	23795240

PubMed	DOI	Target Context	# Activities
23795240	10.1021/ml300419r	Unchecked	4
23795240	10.1021/ml300419r	Plasmodium falciparum	2
23795240	10.1021/ml300419r	WI-38	1
23428849	10.1016/j.bmcl.2013.01.097	Unchecked	1

Data from ChEMBL 36 via Core Engine