Compound Detail

CHEMBL259786

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O=P(O)(O)C(CNN1CCCCC1)P(=O)(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL259786
Phase	Preclinical
Structure Type	MOL
InChI Key	SXFOXGBHYDVQGY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

288.2

MW (Da)

-0.34

ALogP

HBA

HBD

130.3

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.78

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Farnesyl diphosphate synthase CHEMBL5831	IC50	6.78	6.78	165.0	1
Farnesyl diphosphate synthase CHEMBL4752	IC50	6.54	6.54	287.0	1
Trypanosoma cruzi CHEMBL368	IC50	5.21	5.21	6100.0	1
Farnesyl synthetase, putative CHEMBL5833	IC50	5.0	5.0	10034.0	1
Toxoplasma gondii CHEMBL612888	IC50	4.15	4.15	70600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Farnesyl diphosphate synthase	IC50	=	165.0	nM	6.78	Inhibition of Toxoplasma gondii FPPS	18096393
Farnesyl diphosphate synthase	IC50	=	287.0	nM	6.54	Inhibition of Trypanosoma cruzi FPPS	18096393
Trypanosoma cruzi	IC50	=	6100.0	nM	5.21	Growth inhibition of Trypanosoma cruzi amastigotes in rat L6E9 cells	18096393
Farnesyl synthetase, putative	IC50	=	10034.0	nM	5.0	Inhibition of Trypanosoma cruzi SPPS	18096393
Toxoplasma gondii	IC50	=	70600.0	nM	4.15	Growth inhibition of Toxoplasma gondii tachyzoites in HFF cells	18096393

PubMed	DOI	Target Context	# Activities
18096393	10.1016/j.bmc.2007.12.010	Farnesyl diphosphate synthase	2
18096393	10.1016/j.bmc.2007.12.010	Toxoplasma gondii	1
18096393	10.1016/j.bmc.2007.12.010	Trypanosoma cruzi	1
18096393	10.1016/j.bmc.2007.12.010	Farnesyl synthetase, putative	1

Data from ChEMBL 36 via Core Engine