Compound Detail

CHEMBL3397660

Enter ChEMBL ID:

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

CCCc1nn(C)c(C(N)=O)c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3397660
Phase	Preclinical
Structure Type	MOL
InChI Key	HEYUWJNSHYWROP-CMDGGOBGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

402.4

MW (Da)

2.15

ALogP

HBA

HBD

117.7

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.37

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MGC-803 CHEMBL3706566	IC50	5.37	5.37	4240.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.89	4.89	12770.0	1
Telomerase reverse transcriptase CHEMBL2916	IC50	4.31	4.31	49000.0	1
Bcap37 CHEMBL613842	IC50	4.25	4.25	55700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MGC-803	IC50	=	4240.0	nM	5.37	Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay	25554922
NON-PROTEIN TARGET	IC50	=	12770.0	nM	4.89	Cytotoxicity against human SGC7901 cells after 48 hrs by MTT assay	25554922
Telomerase reverse transcriptase	IC50	=	49000.0	nM	4.31	Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA	25554922
Bcap37	IC50	=	55700.0	nM	4.25	Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay	25554922

PubMed	DOI	Target Context	# Activities
25554922	10.1016/j.ejmech.2014.12.013	MGC-803	1
25554922	10.1016/j.ejmech.2014.12.013	NON-PROTEIN TARGET	1
25554922	10.1016/j.ejmech.2014.12.013	Bcap37	1
25554922	10.1016/j.ejmech.2014.12.013	Telomerase reverse transcriptase	1

Data from ChEMBL 36 via Core Engine