Compound Detail

CHEMBL244645

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CCc1ccc(O)c(/N=C/c2cccc(C)c2O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL244645
Phase	Preclinical
Structure Type	MOL
InChI Key	CCXFQMZSQXHYKQ-LICLKQGHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

255.3

MW (Da)

3.72

ALogP

HBA

HBD

52.8

PSA (Å²)

0.82

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 5.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.16	5.16	7000.0	1
SK-BR-3 CHEMBL613834	IC50	5.05	5.05	8900.0	2
Prothrombin CHEMBL4471	IC50	4.93	4.93	11800.0	1
MCF7 CHEMBL387	IC50	4.6	4.6	25000.0	1
26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629	IC50	4.53	4.53	29400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	7000.0	nM	5.16	Inhibition of Hsp90-dependent luciferase renaturation in rabbit reticulocyte aft...	17223347
SK-BR-3	IC50	=	9000.0	nM	5.05	Antiproliferative activity against SkBr3 cells after 72 hrs	17223347
SK-BR-3	IC50	=	8900.0	nM	5.05	Induction of Hsp90-dependent Her2 protein degradation in Skbr3 cells after 24 hr...	17223347
Prothrombin	IC50	=	11800.0	nM	4.93	PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ...	-
MCF7	IC50	=	25000.0	nM	4.6	Antiproliferative activity against MCF7 cells after 72 hrs	17223347
26S proteasome non-ATPase regulatory subunit 14	IC50	=	29400.0	nM	4.53	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F...	-

PubMed	DOI	Target Context	# Activities
17223347	10.1016/j.bmc.2007.01.004	SK-BR-3	2
17223347	10.1016/j.bmc.2007.01.004	Unchecked	1
17223347	10.1016/j.bmc.2007.01.004	MCF7	1

Data from ChEMBL 36 via Core Engine