Compound Detail

CHEMBL2420623

Enter ChEMBL ID:

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

O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1cc2ccncc2o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2420623
Phase	Preclinical
Structure Type	MOL
InChI Key	MOCWYRGNZNTWAP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

428.4

MW (Da)

3.87

ALogP

HBA

HBD

89.3

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A2780 CHEMBL614004	IC50	8.05	8.05	9.0	2
Nicotinamide phosphoribosyltransferase CHEMBL1744525	IC50	7.85	7.85	14.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A2780	IC50	=	9.0	nM	8.05	Antiproliferative activity against human A2780 cells assessed as growth inhibiti...	23859118
A2780	IC50	=	9.0	nM	8.05	Antiproliferative activity against human A2780 cells after 72 hrs by SRB method	25556090
Nicotinamide phosphoribosyltransferase	IC50	=	14.0	nM	7.85	Inhibition of C-terminal His-tagged NAMPT (unknown origin) expressed in Escheric...	23859118
Nicotinamide phosphoribosyltransferase	IC50	=	14.0	nM	7.85	Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli R...	25556090

PubMed	DOI	Target Context	# Activities
23859118	10.1021/jm4008664	Liver	2
25556090	10.1016/j.bmcl.2014.12.026	Cytochrome P450 3A4	2
25556090	10.1016/j.bmcl.2014.12.026	A2780	2
25556090	10.1016/j.bmcl.2014.12.026	MDCK	2
23859118	10.1021/jm4008664	A2780	1
23859118	10.1021/jm4008664	Nicotinamide phosphoribosyltransferase	1
25556090	10.1016/j.bmcl.2014.12.026	Nicotinamide phosphoribosyltransferase	1
25556090	10.1016/j.bmcl.2014.12.026	No relevant target	1

Data from ChEMBL 36 via Core Engine