Compound Detail

CHEMBL1429479

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Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccoc3)C2=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1429479
Phase	Preclinical
Structure Type	MOL
InChI Key	SBMGYJWFXRUVER-JYRVWZFOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

296.3

MW (Da)

2.25

ALogP

HBA

HBD

79.6

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 5.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.7	5.7	2002.0	1
72 kDa type IV collagenase CHEMBL333	IC50	5.46	5.46	3450.0	1
DNA (cytosine-5)-methyltransferase 1 CHEMBL1993	IC50	5.4	5.4	4000.0	1
Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361	IC50	5.32	5.32	4841.6	1
26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629	IC50	5.17	5.17	6760.0	1
Bifunctional protein GlmU CHEMBL1293297	IC50	4.18	4.18	66520.0	1
Prothrombin CHEMBL4471	IC50	4.07	4.07	84700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	2002.0	nM	5.7	PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ...	-
72 kDa type IV collagenase	IC50	=	3450.0	nM	5.46	PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ...	-
DNA (cytosine-5)-methyltransferase 1	IC50	=	4000.0	nM	5.4	PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen...	-
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	4841.59	nM	5.32	PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito...	-
26S proteasome non-ATPase regulatory subunit 14	IC50	=	6760.0	nM	5.17	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F...	-
Bifunctional protein GlmU	IC50	=	66520.0	nM	4.18	PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra...	-
Prothrombin	IC50	=	84700.0	nM	4.07	PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ...	-

Data from ChEMBL 36 via Core Engine