Compound Detail

CHEMBL1521297

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Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)c2ccccc2-3)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1521297
Phase	Preclinical
Structure Type	MOL
InChI Key	OOYQRVPZOGWCNP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

316.3

MW (Da)

3.87

ALogP

HBA

HBD

64.3

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 7 meas. best 6.84

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
ATP-dependent molecular chaperone HSP82 CHEMBL1293251	EC50	6.84	5.91	146.0	3
Unchecked CHEMBL612545	EC50	6.01	5.28	983.0	2
Serine/threonine-protein phosphatase CHEMBL1293271	EC50	5.42	5.225	3784.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
ATP-dependent molecular chaperone HSP82	EC50	=	146.0	nM	6.84	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors...	-
Unchecked	EC50	=	983.0	nM	6.01	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t...	-
ATP-dependent molecular chaperone HSP82	EC50	=	1208.0	nM	5.92	PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors...	-
Serine/threonine-protein phosphatase	EC50	=	3784.0	nM	5.42	PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors...	-
Serine/threonine-protein phosphatase	EC50	=	9273.0	nM	5.03	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors...	-
ATP-dependent molecular chaperone HSP82	EC50	=	10731.0	nM	4.97	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Measure Toxicity of...	-
Unchecked	EC50	=	27938.0	nM	4.55	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal...	-

Data from ChEMBL 36 via Core Engine