Compound Detail

CHEMBL4078575

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O=C(NO)c1ccc(OCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O.[Br-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4078575
Phase	Preclinical
Structure Type	MOL
InChI Key	YQYZKTBBCKKMIW-UHFFFAOYSA-N
Parent Compound	CHEMBL4116366
Active Moiety	CHEMBL4116366

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

598.7

MW (Da)

7.79

ALogP

HBA

HBD

78.8

PSA (Å²)

0.05

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 6.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei brucei CHEMBL612851	EC50	6.85	6.825	140.0	2
Trypanosoma congolense CHEMBL4296607	EC50	4.33	4.33	46400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei brucei	EC50	=	140.0	nM	6.85	Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr...	28112515
Trypanosoma brucei brucei	EC50	=	158.0	nM	6.8	Trypanocidal activity against bloodstream trypomastigote stage of wild-type Tryp...	28112515
Trypanosoma congolense	EC50	=	46400.0	nM	4.33	Anti-parasitic activity against bloodstream form of Trypanosoma congolense IL300...	28112515

PubMed	DOI	Target Context	# Activities
28112515	10.1021/acs.jmedchem.6b01740	Trypanosoma brucei brucei	4
28112515	10.1021/acs.jmedchem.6b01740	Unchecked	3
28112515	10.1021/acs.jmedchem.6b01740	Trypanosoma congolense	1
28112515	10.1021/acs.jmedchem.6b01740	HEK-293T	1

Data from ChEMBL 36 via Core Engine