Compound Detail

CHEMBL366393

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O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OC/C=C/Br)[C@H](O)[C@@H](O)[C@@H](OC/C=C/Br)C(=O)N[C@H]1c2ccccc2C[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL366393
Phase	Preclinical
Structure Type	MOL
InChI Key	JWWDHQJUBYEROJ-FNHBQMBASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

710.4

MW (Da)

1.84

ALogP

HBA

HBD

157.6

PSA (Å²)

0.18

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmepsin I CHEMBL4687	Ki	7.57	7.57	27.0	2
Plasmepsin II CHEMBL4414	Ki	7.33	7.33	47.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmepsin I	Ki	=	27.0	nM	7.57	Inhibitory activity against protease plasmepsin-1 (Plm I) of Plasmodium falcipar...	14695825
Plasmepsin I	Ki	=	27.0	nM	7.57	Inhibition constant against plasmepsin-1 of Plasmodium falciparum, 10 min using ...	16162010
Plasmepsin II	Ki	=	47.0	nM	7.33	Inhibitory activity against protease plasmepsin-2 (Plm II) of Plasmodium falcipa...	14695825
Plasmepsin II	Ki	=	47.0	nM	7.33	Inhibition constant against plasmepsin-2 of Plasmodium falciparum 10 min using 3...	16162010

PubMed	DOI	Target Context	# Activities
14695825	10.1021/jm030933g	Plasmepsin I	1
14695825	10.1021/jm030933g	Plasmepsin II	1
14695825	10.1021/jm030933g	Cathepsin D	1
14695825	10.1021/jm030933g	Plasmodium falciparum	1
16162010	10.1021/jm050463l	Plasmepsin I	1
16162010	10.1021/jm050463l	Plasmepsin II	1
16162010	10.1021/jm050463l	Cathepsin D	1

Data from ChEMBL 36 via Core Engine