Compound Detail

CHEMBL1864348

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Oc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1864348
Phase	Preclinical
Structure Type	MOL
InChI Key	PSFGEHOWPXFVCJ-XSFVSMFZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

352.4

MW (Da)

2.83

ALogP

HBA

HBD

76.9

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 6.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Apoptotic protease-activating factor 1 CHEMBL1795093	IC50	6.15	6.15	707.0	1
Protein Rev CHEMBL1293282	IC50	5.87	5.87	1364.0	1
Female germline-specific tumor suppressor gld-1 CHEMBL1293302	IC50	5.56	5.56	2755.0	1
Unchecked CHEMBL612545	IC50	5.26	5.26	5440.0	1
Sentrin-specific protease 6 CHEMBL1741215	IC50	5.22	4.98	6050.0	2
Serine/threonine-protein phosphatase CHEMBL1293265	IC50	4.96	4.96	10872.0	1
Sentrin-specific protease 8 CHEMBL1741207	IC50	4.66	4.66	22100.0	1
Sentrin-specific protease 7 CHEMBL1741213	IC50	4.51	4.51	31000.0	1
Polyadenylate-binding protein 1 CHEMBL1293286	IC50	4.46	4.46	34430.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Apoptotic protease-activating factor 1	IC50	=	707.0	nM	6.15	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore...	-
Protein Rev	IC50	=	1364.0	nM	5.87	PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati...	-
Female germline-specific tumor suppressor gld-1	IC50	=	2755.0	nM	5.56	PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do...	-
Unchecked	IC50	=	5440.0	nM	5.26	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-...	-
Sentrin-specific protease 6	IC50	=	6050.0	nM	5.22	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s...	-
Serine/threonine-protein phosphatase	IC50	=	10872.0	nM	4.96	PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a...	-
Sentrin-specific protease 6	IC50	=	18100.0	nM	4.74	PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ...	-
Sentrin-specific protease 8	IC50	=	22100.0	nM	4.66	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s...	-
Sentrin-specific protease 7	IC50	=	31000.0	nM	4.51	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s...	-
Polyadenylate-binding protein 1	IC50	=	34430.0	nM	4.46	PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla...	-

Data from ChEMBL 36 via Core Engine