Compound Detail

CHEMBL4061239

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O=C(OCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O.[Br-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4061239
Phase	Preclinical
Structure Type	MOL
InChI Key	NHIHUCLBESJTLE-UHFFFAOYSA-N
Parent Compound	CHEMBL4116367
Active Moiety	CHEMBL4116367

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

541.6

MW (Da)

6.98

ALogP

HBA

HBD

66.8

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypanosoma brucei brucei CHEMBL612851	EC50	8.3	8.22	5.0	3
Trypanosoma congolense CHEMBL4296607	EC50	6.39	6.39	410.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypanosoma brucei brucei	EC50	=	5.0	nM	8.3	Trypanocidal activity against bloodstream trypomastigote stage of wild-type Tryp...	28112515
Trypanosoma brucei brucei	EC50	=	5.9	nM	8.23	Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr...	28112515
Trypanosoma brucei brucei	EC50	=	7.4	nM	8.13	Anti-parasitic activity against diminazene, pentamidine and melaminophenyl arsen...	28112515
Trypanosoma congolense	EC50	=	410.0	nM	6.39	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	4
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