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Compound Detail

CHEMBL463168

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Oc1ccc([C@@H]2CCc3ccc(O)cc3O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463168
Phase Preclinical
Structure Type MOL
InChI Key YXMLGIGHGPSEKA-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.16
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H14O3
MW 242.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 1.27

Literature References

PubMed DOI Target Context # Activities
11678652 10.1021/np010288l Aromatase 1

Data from ChEMBL 36 via Core Engine