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Compound Detail

CHEMBL6040746

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CC(=O)N1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6040746
Phase Preclinical
Structure Type MOL
InChI Key NYZZKELRDMRAIC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
1.44
ALogP
7
HBA
1
HBD
113.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5O4S
MW 441.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.93

Activity Summary

IC50 2 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.29 8.29 5.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 5.1 nM 8.29 Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... -
Nicotinamide phosphoribosyltransferase IC50 = 5.12 nM 8.29 Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... -

Data from ChEMBL 36 via Core Engine