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Compound Detail

CHEMBL229944

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COCOc1ccc(C(=O)/C=C/c2ccc(OCOC)c(CC=C(C)C)c2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229944
Phase Preclinical
Structure Type MOL
InChI Key FQRBNBUFVFZIFV-IZZDOVSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.76
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28O6
MW 412.48
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
17511439 10.1021/jm070109i Aromatase 1

Data from ChEMBL 36 via Core Engine