Compound Detail

CHEMBL1328504

Enter ChEMBL ID:

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

COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1328504
Phase	Preclinical
Structure Type	MOL
InChI Key	DHYNLGYEHUSYKW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

288.3

MW (Da)

2.56

ALogP

HBA

HBD

101.7

PSA (Å²)

0.66

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 8 meas. best 6.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Luciferin 4-monooxygenase CHEMBL5567	EC50	6.89	6.89	129.0	1
Unchecked CHEMBL612545	EC50	5.9	5.43	1269.0	4
ATP-dependent molecular chaperone HSP82 CHEMBL1293251	EC50	5.41	5.41	3922.0	1
BJ CHEMBL614358	EC50	5.29	5.155	5172.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Luciferin 4-monooxygenase	EC50	=	129.0	nM	6.89	PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit...	-
Unchecked	EC50	=	1269.0	nM	5.9	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t...	-
Unchecked	EC50	=	2150.0	nM	5.67	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi...	-
ATP-dependent molecular chaperone HSP82	EC50	=	3922.0	nM	5.41	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors...	-
BJ	EC50	=	5172.0	nM	5.29	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp...	-
Unchecked	EC50	=	6198.0	nM	5.21	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound...	-
BJ	EC50	=	9479.0	nM	5.02	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound...	-
Unchecked	EC50	=	11570.0	nM	4.94	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal...	-

Data from ChEMBL 36 via Core Engine