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Compound Detail

CHEMBL361872

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COc1ccc(-c2c(SCc3ccccc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361872
Phase Preclinical
Structure Type MOL
InChI Key XNXMLBOPVMDDFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
7.34
ALogP
5
HBA
0
HBD
48.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H24O4S
MW 480.59
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
15267241 10.1021/jm0306024 Aromatase 1

Data from ChEMBL 36 via Core Engine