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Compound Detail

CHEMBL3260344

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O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2[nH]ncc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3260344
Phase Preclinical
Structure Type MOL
InChI Key IIABNABCCIQLDJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
2.72
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.54
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 C20H16N4O3S
MW 392.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 1300.0 nM 5.89 Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Esche... 24021463

Literature References

PubMed DOI Target Context # Activities
24021463 10.1016/j.bmcl.2013.08.074 A2780 2
24021463 10.1016/j.bmcl.2013.08.074 Nicotinamide phosphoribosyltransferase 1

Data from ChEMBL 36 via Core Engine