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Compound Detail

CHEMBL6026987

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Cc1cc(F)cc(S(=O)(=O)c2ccc(CN/C(=N\C#N)Nc3ccncc3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6026987
Phase Preclinical
Structure Type MOL
InChI Key DWBXUDIWHWGHFU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
3.40
ALogP
5
HBA
2
HBD
107.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN5O2S
MW 423.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.77 8.77 1.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 1.7 nM 8.77 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -

Data from ChEMBL 36 via Core Engine