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Compound Detail

CHEMBL4438353

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O=S(=O)(O)c1cccnc1

Basic Information

ChEMBL ID CHEMBL4438353
Phase Preclinical
Structure Type MOL
InChI Key DVECLMOWYVDJRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
0.33
ALogP
3
HBA
1
HBD
67.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H5NO3S
MW 159.17
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.37

Activity Summary

Ki 1 meas. best 9.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinate phosphoribosyltransferase
CHEMBL4523354
Ki 9.12 9.12 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinate phosphoribosyltransferase Ki = 0.75 nM 9.12 Inhibition of NAPRT (unknown origin) -

Data from ChEMBL 36 via Core Engine