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Compound Detail

CHEMBL388375

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COc1ccc(/C=C/C(O)c2ccccc2O)cc1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388375
Phase Preclinical
Structure Type MOL
InChI Key NMVRTXIMJQCINE-FMIVXFBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.66
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24O3
MW 324.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.18

Literature References

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

Data from ChEMBL 36 via Core Engine