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Compound Detail

CHEMBL459738

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CC(C)=CCC/C(C)=C\Cc1cc(-c2ccc3cc(C(=O)O)ccc3c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459738
Phase Preclinical
Structure Type MOL
InChI Key RHLUZOKAXJTCDB-GXHLCREISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
7.15
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28O3
MW 400.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 1.24

Literature References

PubMed DOI Target Context # Activities
18759424 10.1021/jm800456k Unchecked 2
18759424 10.1021/jm800456k MDA-MB-231 2
18759424 10.1021/jm800456k ADMET 2

Data from ChEMBL 36 via Core Engine