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Compound Detail

CHEMBL5868424

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O=C(NCc1ccc(S(=O)(=O)N2CC3CC2CC3F)cc1)c1ccc2nccn2c1

Basic Information

ChEMBL ID CHEMBL5868424
Phase Preclinical
Structure Type MOL
InChI Key KXXBMMUSCGODAD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
2.39
ALogP
5
HBA
1
HBD
83.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21FN4O3S
MW 428.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.09 8.09 8.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine