Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3921880

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3921880
Phase Preclinical
Structure Type MOL
InChI Key LXFQOWJBLSTFMH-UHFFFAOYSA-N
1
Targets
10
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
3.59
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N3O4
MW 385.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.68

Activity Summary

IC50 10 meas. best 8.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.02 7.598 9.5 10

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 9.53 nM 8.02 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -
Nicotinamide phosphoribosyltransferase IC50 = 9.53 nM 8.02 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -
Nicotinamide phosphoribosyltransferase IC50 = 10.0 nM 8.0 Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escher... 27541271
Nicotinamide phosphoribosyltransferase IC50 = 10.0 nM 8.0 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -
Nicotinamide phosphoribosyltransferase IC50 = 10.0 nM 8.0 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -
Nicotinamide phosphoribosyltransferase IC50 = 19.9 nM 7.7 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -
Nicotinamide phosphoribosyltransferase IC50 = 19.9 nM 7.7 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -
Nicotinamide phosphoribosyltransferase IC50 = 36.0 nM 7.44 Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability ... 27541271
Nicotinamide phosphoribosyltransferase IC50 = 279.0 nM 6.55 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -
Nicotinamide phosphoribosyltransferase IC50 = 279.0 nM 6.55 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -

Literature References

PubMed DOI Target Context # Activities
27541271 10.1021/acs.jmedchem.6b00697 Nicotinamide phosphoribosyltransferase 2
27541271 10.1021/acs.jmedchem.6b00697 NON-PROTEIN TARGET 2
27541271 10.1021/acs.jmedchem.6b00697 Cytochrome P450 2C9 1

Data from ChEMBL 36 via Core Engine