Compound Detail

CHEMBL3896390

Enter ChEMBL ID:

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

CC(C)C(=O)N1CCC(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3896390
Phase	Preclinical
Structure Type	MOL
InChI Key	FJVPSSYVFBNFLO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

391.5

MW (Da)

4.60

ALogP

HBA

HBD

52.6

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.96

Ki 1 meas. best 7.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nicotinamide phosphoribosyltransferase CHEMBL1744525	IC50	7.96	7.96	11.0	1
Nicotinamide phosphoribosyltransferase CHEMBL1744525	Ki	7.82	7.82	15.0	1
PC-3 CHEMBL390	IC50	7.75	7.75	18.0	1

Parameter	Value	Units	Species
CL	366.67	mL.min-1.kg-1	Mus musculus
CL	58.33	mL.min-1.kg-1	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nicotinamide phosphoribosyltransferase	IC50	=	11.0	nM	7.96	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Binding Assay : P...	-
Nicotinamide phosphoribosyltransferase	Ki	=	15.0	nM	7.82	Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoin...	28610984
PC-3	IC50	=	18.0	nM	7.75	Antiproliferative activity against human PC3 cells assessed as reduction in cell...	28610984

PubMed	DOI	Target Context	# Activities
28610984	10.1016/j.bmcl.2017.06.018	Liver	2
28610984	10.1016/j.bmcl.2017.06.018	Nicotinamide phosphoribosyltransferase	1
28610984	10.1016/j.bmcl.2017.06.018	PC-3	1

Data from ChEMBL 36 via Core Engine