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Compound Detail

CHEMBL23865

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NS(=O)(=O)Oc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23865
Phase Preclinical
Structure Type MOL
InChI Key YDPOZFIBKFKFMB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
0.41
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6FNO3S
MW 191.18
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.24

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11965370 10.1016/s0960-894x(02)00137-3 Steryl-sulfatase 2
11294387 10.1016/s0960-894x(01)00087-7 Steryl-sulfatase 2
11294387 10.1016/s0960-894x(01)00087-7 No relevant target 1
19632111 10.1016/j.bmcl.2009.07.056 Carbonic anhydrase 12 1
19632111 10.1016/j.bmcl.2009.07.056 Carbonic anhydrase 9 1
19632111 10.1016/j.bmcl.2009.07.056 Carbonic anhydrase 2 1
19632111 10.1016/j.bmcl.2009.07.056 Carbonic anhydrase 1 1
19632111 10.1016/j.bmcl.2009.07.056 Unchecked 1

Data from ChEMBL 36 via Core Engine