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Compound Detail

CHEMBL457262

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COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457262
Phase Preclinical
Structure Type MOL
InChI Key SFMXXEOUUFGNQC-OVCLIPMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
5.53
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H28O7
MW 452.50
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 2.09

Literature References

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

Data from ChEMBL 36 via Core Engine