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Compound Detail

CHEMBL5092344

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CCCCC/C=C\C/C=C\CCCCCCCc1cc(=O)c2c(O)cc(OCOC)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5092344
Phase Preclinical
Structure Type MOL
InChI Key OLGTVXIQWRUBKV-NQLNTKRDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
7.45
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.15
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40O5
MW 456.62
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 1.32

Literature References

PubMed DOI Target Context # Activities
33860662 10.1021/acs.jmedchem.1c00085 MDA-MB-231 1
33860662 10.1021/acs.jmedchem.1c00085 MCF7 1

Data from ChEMBL 36 via Core Engine