Compound Detail

CHEMBL3786296

Enter ChEMBL ID:

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

O=C(CN1CCOCC1)N1N=C(c2cc3ccccc3oc2=O)CC1c1ccccc1C(F)(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3786296
Phase	Preclinical
Structure Type	MOL
InChI Key	CANSHUKJCCHWBV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

485.5

MW (Da)

3.82

ALogP

HBA

HBD

75.3

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Telomerase reverse transcriptase CHEMBL2916	IC50	5.52	5.52	3030.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.0	4.96	10000.0	2
Bcap37 CHEMBL613842	IC50	4.85	4.85	14220.0	1
HepG2 CHEMBL395	IC50	4.68	4.68	21010.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Telomerase reverse transcriptase	IC50	=	3030.0	nM	5.52	Inhibition of telomerase in human MGC-803 cells after 24 hrs by TRAP-PCR-ELISA a...	26900656
NON-PROTEIN TARGET	IC50	=	10000.0	nM	5.0	Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay	26900656
NON-PROTEIN TARGET	IC50	=	12070.0	nM	4.92	Cytotoxicity against human PC3 cells after 48 hrs by MTT assay	26900656
Bcap37	IC50	=	14220.0	nM	4.85	Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay	26900656
HepG2	IC50	=	21010.0	nM	4.68	Cytotoxicity against human HepG2 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