Compound Detail

CHEMBL3782024

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3782024
Phase	Preclinical
Structure Type	MOL
InChI Key	OFJYTRDQYZMGFR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

236.2

MW (Da)

2.01

ALogP

HBA

HBD

52.9

PSA (Å²)

0.85

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 5.37

IC50 1 meas. best 5.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Telomerase reverse transcriptase CHEMBL2916	IC50	5.4	5.4	4000.0	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.37	5.22	4260.0	2
HepG2 CHEMBL395	EC50	5.03	5.03	9410.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Telomerase reverse transcriptase	IC50	=	4000.0	nM	5.4	Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA me...	26883149
NON-PROTEIN TARGET	EC50	=	4260.0	nM	5.37	Antiproliferative activity against human MGC803 cells after 48 hrs by MTT assay	26883149
NON-PROTEIN TARGET	EC50	=	8600.0	nM	5.07	Antiproliferative activity against human SGC7901 cells after 48 hrs by MTT assay	26883149
HepG2	EC50	=	9410.0	nM	5.03	Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay	26883149

PubMed	DOI	Target Context	# Activities
26883149	10.1016/j.bmcl.2016.02.025	NON-PROTEIN TARGET	2
26883149	10.1016/j.bmcl.2016.02.025	HepG2	1
26883149	10.1016/j.bmcl.2016.02.025	Telomerase reverse transcriptase	1

Data from ChEMBL 36 via Core Engine