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Compound Detail

CHEMBL2391590

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O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)OCc1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2391590
Phase Preclinical
Structure Type MOL
InChI Key MUFKBLNBTXLHIY-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.66
ALogP
5
HBA
1
HBD
85.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O4S
MW 368.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.47

Activity Summary

IC50 6 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 7.82 7.25 15.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 15.0 nM 7.82 Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 1 ... 23617784
Nicotinamide phosphoribosyltransferase IC50 = 16.0 nM 7.8 Inhibition of Nampt (unknown origin) using NAM/PRPP as substrate preincubated fo... 23617784
Nicotinamide phosphoribosyltransferase IC50 = 24.0 nM 7.62 Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 5 ... 23617784
Nicotinamide phosphoribosyltransferase IC50 = 51.0 nM 7.29 Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 25... 23617784
Nicotinamide phosphoribosyltransferase IC50 = 205.0 nM 6.69 Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 12... 23617784
Nicotinamide phosphoribosyltransferase IC50 = 525.0 nM 6.28 Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 25... 23617784

Literature References

PubMed DOI Target Context # Activities
23617784 10.1021/jm400186h Nicotinamide phosphoribosyltransferase 6
23617784 10.1021/jm400186h Liver microsomes 1
23617784 10.1021/jm400186h Liver 1
23617784 10.1021/jm400186h No relevant target 1
23617784 10.1021/jm400186h A2780 1

Data from ChEMBL 36 via Core Engine