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Compound Detail

CHEMBL229893

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

Basic Information

ChEMBL ID CHEMBL229893
Phase Preclinical
Structure Type MOL
InChI Key WSMDXZYMPYJMLD-IZZDOVSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.79
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26O5
MW 382.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.92

Literature References

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

Data from ChEMBL 36 via Core Engine