Compound Detail

CHEMBL3948172

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CC1CCCC2(OC(O)C=CC2=O)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3948172
Phase	Preclinical
Structure Type	MOL
InChI Key	VQPCEYJOGDXUFW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

198.2

MW (Da)

0.75

ALogP

HBA

HBD

55.8

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.9

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Telomerase reverse transcriptase CHEMBL2916	IC50	7.9	7.9	12.6	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Telomerase reverse transcriptase	IC50	=	12.6	nM	7.9	Inhibition of telomerase activity in human MCF7 cells using biotin-labeled TeloT...	27592503
Telomerase reverse transcriptase	IC50	=	12.6	nM	7.9	Inhibition of telomerase activity in human M14 cells using biotin-labeled TeloTA...	27592503
Telomerase reverse transcriptase	IC50	=	12.6	nM	7.9	Inhibition of telomerase activity in human H125 cells using biotin-labeled TeloT...	27592503
Telomerase reverse transcriptase	IC50	=	12.6	nM	7.9	Inhibition of telomerase activity in human HT-29 cells using biotin-labeled Telo...	27592503

PubMed	DOI	Target Context	# Activities
27592503	10.1021/acs.jmedchem.6b01046	Telomerase reverse transcriptase	24
27592503	10.1021/acs.jmedchem.6b01046	NON-PROTEIN TARGET	21
27592503	10.1021/acs.jmedchem.6b01046	SH-SY5Y	2
27592503	10.1021/acs.jmedchem.6b01046	Unchecked	2

Data from ChEMBL 36 via Core Engine