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

CHEMBL3893879

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)N1Cc2ccncc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3893879
Phase Preclinical
Structure Type MOL
InChI Key DLHHFYXNVIMXSY-UHFFFAOYSA-N
1
Targets
13
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
3.14
ALogP
4
HBA
1
HBD
74.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N4O3
MW 386.50
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.68

Activity Summary

IC50 13 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.8 8.0269 1.6 13

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 1.6 nM 8.8 Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability ... 27541271
Nicotinamide phosphoribosyltransferase IC50 = 4.32 nM 8.37 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -
Nicotinamide phosphoribosyltransferase IC50 = 4.32 nM 8.37 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -
Nicotinamide phosphoribosyltransferase IC50 = 6.36 nM 8.2 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -
Nicotinamide phosphoribosyltransferase IC50 = 6.8 nM 8.17 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -
Nicotinamide phosphoribosyltransferase IC50 = 6.8 nM 8.17 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -
Nicotinamide phosphoribosyltransferase IC50 = 7.0 nM 8.15 Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escher... 27541271
Nicotinamide phosphoribosyltransferase IC50 = 9.96 nM 8.0 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -
Nicotinamide phosphoribosyltransferase IC50 = 9.96 nM 8.0 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -
Nicotinamide phosphoribosyltransferase IC50 = 18.3 nM 7.74 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -
Nicotinamide phosphoribosyltransferase IC50 = 18.3 nM 7.74 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -
Nicotinamide phosphoribosyltransferase IC50 = 47.9 nM 7.32 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -
Nicotinamide phosphoribosyltransferase IC50 = 47.9 nM 7.32 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