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Compound Detail

CHEMBL181939

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Cc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181939
Phase Preclinical
Structure Type MOL
InChI Key VPIUVBLEDIDJQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.00
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.76
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 C17H18N2O2S
MW 314.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
15713402 10.1016/j.bmcl.2004.12.081 Polyunsaturated fatty acid lipoxygenase ALOX15 2
31732252 10.1016/j.ejmech.2019.111815 Aromatase 1

Data from ChEMBL 36 via Core Engine