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Compound Detail

CHEMBL264724

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C=CCSc1oc2cc(OC)ccc2c(=O)c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL264724
Phase Preclinical
Structure Type MOL
InChI Key YZZTYKVUXRHQEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.75
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.50
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 C19H16O3S
MW 324.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.11

Literature References

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

Data from ChEMBL 36 via Core Engine