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Compound Detail

CHEMBL5741611

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N#C/N=C(\NCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1)Nc1ccncc1

Basic Information

ChEMBL ID CHEMBL5741611
Phase Preclinical
Structure Type MOL
InChI Key JLYVBAVPQGOGBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
2.79
ALogP
7
HBA
2
HBD
119.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6O3S
MW 476.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine