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Compound Detail

CHEMBL457261

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CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457261
Phase Preclinical
Structure Type MOL
InChI Key DMSHSZYADCTYHE-VGOFMYFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
5.22
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H26O7
MW 438.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 2.13

Literature References

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

Data from ChEMBL 36 via Core Engine