Compound Detail

CHEMBL138369

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O=C(CCN1CCCC1)Nc1ccc2nc3ccc(NC(=O)CCN4CCCC4)cc3c(Nc3ccccc3)c2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL138369
Phase	Preclinical
Structure Type	MOL
InChI Key	LHNWVALUXOHYJY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

550.7

MW (Da)

5.98

ALogP

HBA

HBD

89.6

PSA (Å²)

0.21

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.89

EC50 1 meas. best 5.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Telomerase reverse transcriptase CHEMBL2916	EC50	5.89	5.89	1290.0	1
Telomerase reverse transcriptase CHEMBL2916	IC50	5.89	5.89	1290.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.58	5.24	2600.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Telomerase reverse transcriptase	EC50	=	1290.0	nM	5.89	Inhibitory activity against human telomerase	14521409
Telomerase reverse transcriptase	IC50	=	1290.0	nM	5.89	Inhibition of telomerase in human A2780 cells by TRAP assay	19726112
NON-PROTEIN TARGET	IC50	=	2600.0	nM	5.58	Cytotoxicity against ovarian carcinoma A2780 cell lines	14521409
NON-PROTEIN TARGET	IC50	=	12500.0	nM	4.9	Cytotoxicity against ovarian carcinoma A431 cell lines	14521409

PubMed	DOI	Target Context	# Activities
14521409	10.1021/jm0308693	NON-PROTEIN TARGET	2
14521409	10.1021/jm0308693	Telomerase reverse transcriptase	1
19726112	10.1016/j.ejmech.2009.07.029	Telomerase reverse transcriptase	1

Data from ChEMBL 36 via Core Engine