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Compound Detail

CHEMBL492492

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O=C(O)/C=C/c1ccc(-c2ccc(O)c(C3C4CC5CC(C4)CC3C5)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492492
Phase Preclinical
Structure Type MOL
InChI Key UDPZTCPSUDYEHM-FPYGCLRLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
5.70
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26O3
MW 374.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.40

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