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Compound Detail

CHEMBL189023

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COc1ccc(S(=O)(=O)N/N=C/C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189023
Phase Preclinical
Structure Type MOL
InChI Key BHAJEYKQHZPCHD-UXBLZVDNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
0.04
ALogP
5
HBA
2
HBD
105.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N2O5S
MW 258.25
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.99

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15481972 10.1021/jm049934e Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine