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Compound Detail

CHEMBL382767

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Cn1c2c(c3cc(O)ccc31)C[S+]([O-])c1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382767
Phase Preclinical
Structure Type MOL
InChI Key CZJIECLXPSCCHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
3.17
ALogP
3
HBA
1
HBD
48.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13NO2S
MW 283.35
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
16603353 10.1016/j.bmcl.2006.03.047 Androgen receptor 1

Data from ChEMBL 36 via Core Engine