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Compound Detail

CHEMBL5094052

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CCCC/C=C\CCCCCCCCCc1cc(=O)c2c(O)cc(OCOC)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5094052
Phase Preclinical
Structure Type MOL
InChI Key KHARLTQGZKQXHU-SREVYHEPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
6.89
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.18
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38O5
MW 430.59
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.25

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