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Compound Detail

CHEMBL229905

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COc1ccc(C(=O)/C=C/c2cccc(CC=C(C)C)c2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229905
Phase Preclinical
Structure Type MOL
InChI Key NLPKMSVYFUJCRG-FMIVXFBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.81
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.47
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 C21H22O3
MW 322.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.94

Literature References

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

Data from ChEMBL 36 via Core Engine