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Compound Detail

CHEMBL1210065

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COc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1210065
Phase Preclinical
Structure Type MOL
InChI Key QCPLNQDEWKEYBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
5.82
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22O5
MW 450.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
20537765 10.1016/j.ejmech.2010.04.032 K562 1
20537765 10.1016/j.ejmech.2010.04.032 Tubulin 1

Data from ChEMBL 36 via Core Engine