Compound Detail

CHEMBL3785170

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CC1=NN(C(=O)CN2CCCC2)C(c2ccccc2O)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3785170
Phase	Preclinical
Structure Type	MOL
InChI Key	QXCMALUJWSSGJN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

287.4

MW (Da)

2.14

ALogP

HBA

HBD

56.1

PSA (Å²)

0.93

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bcap37 CHEMBL613842	IC50	5.27	5.27	5350.0	1
Telomerase reverse transcriptase CHEMBL2916	IC50	5.26	5.26	5440.0	1
HepG2 CHEMBL395	IC50	5.26	5.26	5540.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.18	4.965	6670.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bcap37	IC50	=	5350.0	nM	5.27	Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay	26900656
Telomerase reverse transcriptase	IC50	=	5440.0	nM	5.26	Inhibition of telomerase in human MGC-803 cells after 24 hrs by TRAP-PCR-ELISA a...	26900656
HepG2	IC50	=	5540.0	nM	5.26	Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay	26900656
NON-PROTEIN TARGET	IC50	=	6670.0	nM	5.18	Cytotoxicity against human PC3 cells after 48 hrs by MTT assay	26900656
NON-PROTEIN TARGET	IC50	=	17890.0	nM	4.75	Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay	26900656

PubMed	DOI	Target Context	# Activities
26900656	10.1016/j.ejmech.2016.02.009	NON-PROTEIN TARGET	2
26900656	10.1016/j.ejmech.2016.02.009	Telomerase reverse transcriptase	1
26900656	10.1016/j.ejmech.2016.02.009	HepG2	1
26900656	10.1016/j.ejmech.2016.02.009	Bcap37	1

Data from ChEMBL 36 via Core Engine