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Compound Detail

CHEMBL3597193

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COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cccc(OC)c23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597193
Phase Preclinical
Structure Type MOL
InChI Key FEZRZOGDMQJBAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
5.10
ALogP
5
HBA
1
HBD
69.8
PSA (Ų)
0.42
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 C25H23NO5
MW 417.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
26132075 10.1021/acs.jmedchem.5b00310 MCF7 1
26132075 10.1021/acs.jmedchem.5b00310 Tubulin 1

Data from ChEMBL 36 via Core Engine