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Compound Detail

CHEMBL5950079

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Cc1cc(C)cc(S(=O)(=O)c2ccc(CNC(=NC#N)Nc3ccncc3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5950079
Phase Preclinical
Structure Type MOL
InChI Key BHJZPWAYDCVFOZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.57
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 C22H21N5O2S
MW 419.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.48 8.48 3.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 3.3 nM 8.48 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -

Data from ChEMBL 36 via Core Engine