Compound Detail

CHEMBL1562104

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CCCCCCCCn1sccc1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1562104
Phase	Preclinical
Structure Type	MOL
InChI Key	JPMIIZHYYWMHDT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

213.3

MW (Da)

3.27

ALogP

HBA

HBD

22.0

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 7.06

EC50 2 meas. best 5.91

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Monoglyceride lipase CHEMBL3321	IC50	7.06	7.06	88.0	1
Ammonium transporter MEP2 CHEMBL1741183	EC50	5.91	5.91	1226.0	1
Unchecked CHEMBL612545	IC50	5.89	5.79	1290.0	2
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212	IC50	5.43	4.65	3750.0	3
Large ribosomal subunit protein eL19A CHEMBL1741172	EC50	4.92	4.92	11890.0	1
Glucose-6-phosphate 1-dehydrogenase CHEMBL5347	IC50	4.23	4.23	59300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Monoglyceride lipase	IC50	=	88.0	nM	7.06	Inhibition of recombinant rat N-terminal histidine tagged MAGL expressed in Esch...	27766867
Ammonium transporter MEP2	EC50	=	1226.0	nM	5.91	PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy...	-
Unchecked	IC50	=	1290.0	nM	5.89	PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun...	-
Unchecked	IC50	=	2060.0	nM	5.69	PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co...	-
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	IC50	=	3750.0	nM	5.43	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Large ribosomal subunit protein eL19A	EC50	=	11890.0	nM	4.92	PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy...	-
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	IC50	=	46000.0	nM	4.34	PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point ...	-
Glucose-6-phosphate 1-dehydrogenase	IC50	=	59300.0	nM	4.23	PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv...	-
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	IC50	=	66400.0	nM	4.18	PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de...	-

PubMed	DOI	Target Context	# Activities
27766867	10.1021/acs.jmedchem.6b00538	Monoglyceride lipase	1

Data from ChEMBL 36 via Core Engine