Compound Detail

CHEMBL1508788

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CCCNC(=O)c1ccc2c(O)c(O)c(-c3cccc(Br)c3)nc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1508788
Phase	Preclinical
Structure Type	MOL
InChI Key	ZCQIFBDQOPZXLU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

401.3

MW (Da)

4.22

ALogP

HBA

HBD

82.5

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 8 meas. best 5.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RNA-binding protein pos-1 CHEMBL1293304	EC50	5.8	5.8	1597.0	1
Unchecked CHEMBL612545	EC50	5.68	5.36	2093.0	5
Zinc finger protein mex-5 CHEMBL1293319	EC50	5.56	5.56	2733.0	1
ATP-dependent molecular chaperone HSP82 CHEMBL1293251	EC50	5.52	5.52	3037.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RNA-binding protein pos-1	EC50	=	1597.0	nM	5.8	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Unchecked	EC50	=	2093.0	nM	5.68	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t...	-
Zinc finger protein mex-5	EC50	=	2733.0	nM	5.56	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Unchecked	EC50	=	3045.0	nM	5.52	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito...	-
ATP-dependent molecular chaperone HSP82	EC50	=	3037.0	nM	5.52	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors...	-
Unchecked	EC50	=	3401.0	nM	5.47	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi...	-
Unchecked	EC50	=	4828.0	nM	5.32	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito...	-
Unchecked	EC50	=	15576.0	nM	4.81	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal...	-

Data from ChEMBL 36 via Core Engine