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Compound Detail

CHEMBL251166

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CS(=O)(=O)Nc1c(O)ccc([C@@H](O)CN)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL251166
Phase Preclinical
Structure Type MOL
InChI Key MWRWNVQAJDWXRX-ZETCQYMHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
-0.11
ALogP
5
HBA
4
HBD
112.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13FN2O4S
MW 264.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.27

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
17533126 10.1016/j.bmcl.2007.05.030 Beta-3 adrenergic receptor 2

Data from ChEMBL 36 via Core Engine