Compound Detail

CHEMBL1324382

Enter ChEMBL ID:

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

Cc1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(C)c(C)c5)c(=O)c4c(C(=O)c4ccc(C(=O)O)cc4)c3c2=O)cc1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1324382
Phase	Preclinical
Structure Type	MOL
InChI Key	HCVOMYUMZYAHRX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

572.6

MW (Da)

4.05

ALogP

HBA

HBD

132.5

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 5.95

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098	IC50	5.95	5.95	1120.0	1
Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215	IC50	5.55	5.405	2800.0	2
Dual specificity protein phosphatase 3 CHEMBL2635	IC50	5.47	5.375	3390.0	2
Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361	IC50	5.36	5.36	4402.4	1
Prostaglandin E synthase CHEMBL5658	IC50	5.1	5.1	7900.0	1
Dual specificity protein phosphatase 6 CHEMBL5511	IC50	4.72	4.72	18900.0	1

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	=	1120.0	nM	5.95	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ...	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	2800.0	nM	5.55	Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition ...	21466167
Dual specificity protein phosphatase 3	IC50	=	3390.0	nM	5.47	PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that...	-
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	4402.45	nM	5.36	PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito...	-
Dual specificity protein phosphatase 3	IC50	=	5310.0	nM	5.28	PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit...	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	5500.0	nM	5.26	Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition ...	21466167
Prostaglandin E synthase	IC50	=	7900.0	nM	5.1	Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition ...	21466167
Dual specificity protein phosphatase 6	IC50	=	18900.0	nM	4.72	PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Rela...	-

PubMed	DOI	Target Context	# Activities
21466167	10.1021/jm101309g	Polyunsaturated fatty acid 5-lipoxygenase	6
21466167	10.1021/jm101309g	Prostaglandin E synthase	3

Data from ChEMBL 36 via Core Engine