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Compound Detail

CHEMBL5894787

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O=C(NCc1ccc(S(=O)(=O)C2CCN(C3COC3)CC2)cc1)c1cc2ccncc2s1

Basic Information

ChEMBL ID CHEMBL5894787
Phase Preclinical
Structure Type MOL
InChI Key FDXOVLPTFTWTIQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
2.86
ALogP
7
HBA
1
HBD
88.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O4S2
MW 471.60
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.45

Activity Summary

IC50 2 meas. best 8.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.37 8.37 4.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine