Compound Detail

CHEMBL3190873

Enter ChEMBL ID:

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

O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc2c(ccc3ccccc32)o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3190873
Phase	Preclinical
Structure Type	MOL
InChI Key	IXMFDGKJBVOJRF-AUEPDCJTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

488.1

MW (Da)

5.58

ALogP

HBA

HBD

74.8

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 6 meas. best 6.12

IC50 1 meas. best 4.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
ATP-dependent molecular chaperone HSP82 CHEMBL1293251	EC50	6.12	5.5667	763.0	3
Unchecked CHEMBL612545	EC50	5.84	5.015	1451.0	2
Serine/threonine-protein phosphatase CHEMBL1293271	EC50	5.59	5.59	2578.0	1
Envelope glycoprotein gp160 CHEMBL1293311	IC50	4.82	4.82	15000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
ATP-dependent molecular chaperone HSP82	EC50	=	763.0	nM	6.12	PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors...	-
ATP-dependent molecular chaperone HSP82	EC50	=	915.0	nM	6.04	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors...	-
Unchecked	EC50	=	1451.0	nM	5.84	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t...	-
Serine/threonine-protein phosphatase	EC50	=	2578.0	nM	5.59	PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors...	-
Envelope glycoprotein gp160	IC50	=	15000.0	nM	4.82	PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno...	-
ATP-dependent molecular chaperone HSP82	EC50	=	28696.0	nM	4.54	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Measure Toxicity of...	-
Unchecked	EC50	=	64688.0	nM	4.19	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal...	-

Data from ChEMBL 36 via Core Engine