Compound Detail

CHEMBL3423384

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CCN(CC)CCCOc1c(-c2cc(OC)c(OC)c(OC)c2)oc2cc(OC)cc(OC)c2c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3423384
Phase	Preclinical
Structure Type	MOL
InChI Key	QDOSRRPRTLFBNS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

501.6

MW (Da)

4.61

ALogP

HBA

HBD

88.8

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.45

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Telomerase reverse transcriptase CHEMBL2916	IC50	4.45	4.45	35660.0	1
MGC-803 CHEMBL3706566	IC50	4.4	4.4	40210.0	1
Bcap37 CHEMBL613842	IC50	4.37	4.37	42960.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.25	4.25	56850.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Telomerase reverse transcriptase	IC50	=	35660.0	nM	4.45	Inhibition of telomerase in human MDA-MB-231 cells after 24 hrs by TRAP-PCR-ELIS...	25965778
MGC-803	IC50	=	40210.0	nM	4.4	Cytotoxicity against human MGC803 cells after 38 hrs by MTT assay	25965778
Bcap37	IC50	=	42960.0	nM	4.37	Cytotoxicity against human Bcap37 cells after 38 hrs by MTT assay	25965778
NON-PROTEIN TARGET	IC50	=	56850.0	nM	4.25	Cytotoxicity against human SGC7901 cells after 38 hrs by MTT assay	25965778

PubMed	DOI	Target Context	# Activities
25965778	10.1016/j.ejmech.2015.04.063	Bcap37	1
25965778	10.1016/j.ejmech.2015.04.063	NON-PROTEIN TARGET	1
25965778	10.1016/j.ejmech.2015.04.063	MGC-803	1
25965778	10.1016/j.ejmech.2015.04.063	Telomerase reverse transcriptase	1

Data from ChEMBL 36 via Core Engine