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Compound Detail

CHEMBL461003

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Cc1cc(C)c(-c2cc(-c3ccc4cc(C(=O)O)ccc4c3C)ccc2O)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461003
Phase Preclinical
Structure Type MOL
InChI Key OYJSITYRXPKTPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
6.81
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24O3
MW 396.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.22

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