Compound Detail

CHEMBL1481493

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Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1481493
Phase	Preclinical
Structure Type	MOL
InChI Key	WCTLJHPFQNQYFZ-MTJSOVHGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

476.5

MW (Da)

4.94

ALogP

HBA

HBD

116.9

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.84

EC50 2 meas. best 5.78

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098	IC50	5.84	5.84	1444.0	1
Zinc finger protein mex-5 CHEMBL1293319	EC50	5.78	5.78	1680.0	1
Phospholipase A2 CHEMBL4426	IC50	5.75	5.75	1770.0	1
Cysteine protease ATG4B CHEMBL1741221	IC50	5.69	5.69	2050.0	1
RNA-binding protein pos-1 CHEMBL1293304	EC50	5.62	5.62	2408.0	1
SUMO-activating enzyme CHEMBL2095174	IC50	5.54	5.285	2850.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	IC50	=	1444.0	nM	5.84	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ...	-
Zinc finger protein mex-5	EC50	=	1680.0	nM	5.78	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Phospholipase A2	IC50	=	1770.0	nM	5.75	PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ...	-
Cysteine protease ATG4B	IC50	=	2050.0	nM	5.69	PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i...	-
RNA-binding protein pos-1	EC50	=	2408.0	nM	5.62	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
SUMO-activating enzyme	IC50	=	2850.0	nM	5.54	PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of...	-
SUMO-activating enzyme	IC50	=	9450.0	nM	5.03	PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio...	-

Data from ChEMBL 36 via Core Engine