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Compound Detail

CHEMBL5089125

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CCCCCCCCCCCCCCCc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5089125
Phase Preclinical
Structure Type MOL
InChI Key ILKFCMDDJGQPBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
7.45
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H40O4
MW 416.60
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.10

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