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

CHEMBL5776456

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
O=C(NCc1ccc(S(=O)(=O)C2CCOCC2)cc1)c1cnc2nccn2c1

Basic Information

ChEMBL ID CHEMBL5776456
Phase Preclinical
Structure Type MOL
InChI Key YDZHHULWPAIVPM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
1.61
ALogP
7
HBA
1
HBD
102.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O4S
MW 400.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.90

Activity Summary

IC50 2 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.06 8.06 8.7 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine