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Compound Detail

CHEMBL32172

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CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OS(N)(=O)=O)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32172
Phase Preclinical
Structure Type MOL
InChI Key NSDNSKZEYQJJAH-QPLCGJKRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
4.58
ALogP
5
HBA
1
HBD
81.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O4S
MW 466.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
10021916 10.1016/s0960-894x(98)00707-0 Steryl-sulfatase 1
31129450 10.1016/j.ejmech.2019.05.023 Steryl-sulfatase 1

Data from ChEMBL 36 via Core Engine