Compound Detail

CHEMBL3780654

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3780654
Phase	Preclinical
Structure Type	MOL
InChI Key	OIXFQXIRKGZEEB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

272.2

MW (Da)

2.60

ALogP

HBA

HBD

52.9

PSA (Å²)

0.85

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 5.69

IC50 1 meas. best 5.73

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Telomerase reverse transcriptase CHEMBL2916	IC50	5.73	5.73	1860.0	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.69	5.615	2060.0	2
HepG2 CHEMBL395	EC50	5.32	5.32	4800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Telomerase reverse transcriptase	IC50	=	1860.0	nM	5.73	Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA me...	26883149
NON-PROTEIN TARGET	EC50	=	2060.0	nM	5.69	Antiproliferative activity against human SGC7901 cells after 48 hrs by MTT assay	26883149
NON-PROTEIN TARGET	EC50	=	2890.0	nM	5.54	Antiproliferative activity against human MGC803 cells after 48 hrs by MTT assay	26883149
HepG2	EC50	=	4800.0	nM	5.32	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