Compound Detail

CHEMBL1271888

ISOWIGHTEONE

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC1(C)C=Cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1271888
Name	ISOWIGHTEONE
Phase	Preclinical
Structure Type	MOL
InChI Key	PWAACAMQKVIVPZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

320.3

MW (Da)

4.35

ALogP

HBA

HBD

59.7

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 4.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	4.75	4.75	17600.0	1
Enoyl-acyl-carrier protein reductase CHEMBL4150	IC50	4.23	4.23	58950.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	17600.0	nM	4.75	Inhibition of Escherichia coli beta-glucuronidase assessed as inhibition of p-ni...	21619045
Enoyl-acyl-carrier protein reductase	IC50	=	58950.0	nM	4.23	Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as su...	21619045

PubMed	DOI	Target Context	# Activities
20934335	10.1016/j.bmcl.2010.09.077	Neuraminidase	3
21619045	10.1021/np100896w	Enoyl-acyl-carrier protein reductase	2
21619045	10.1021/np100896w	Unchecked	2
12502337	10.1021/np020289t	Unchecked	1
12502337	10.1021/np020289t	Candida albicans	1
12502337	10.1021/np020289t	Cryptococcus neoformans	1
11858751	10.1021/np010147j	Cladosporium cucumerinum	1
35489224	10.1016/j.ejmech.2022.114405	Mus musculus	1

Data from ChEMBL 36 via Core Engine