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

CHEMBL4519620

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
CCCN(CCc1c[nH]c2ccccc12)Cc1ccc(CCCNC(=O)/C=C/c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4519620
Phase Preclinical
Structure Type MOL
InChI Key ZIZRULRPDLBBKC-FOCLMDBBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

480.7
MW (Da)
5.78
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36N4O
MW 480.66
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 6.26 6.26 544.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 544.0 nM 6.26 Inhibition of recombinant NAMPT (unknown origin) using nicotinamide as substrate... 27224875

Literature References

PubMed DOI Target Context # Activities
27224875 10.1021/acs.jmedchem.6b00324 Nicotinamide phosphoribosyltransferase 1
27224875 10.1021/acs.jmedchem.6b00324 HeLa 1
27224875 10.1021/acs.jmedchem.6b00324 MCF7 1
27224875 10.1021/acs.jmedchem.6b00324 NCI-H1975 1
27224875 10.1021/acs.jmedchem.6b00324 U-937 1
27224875 10.1021/acs.jmedchem.6b00324 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine