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Compound Detail

CHEMBL5565800

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CCOc1cc(-c2ccc(OC)c(O)c2)cc2c1[nH]c(=O)n2-c1cc(OC)c(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5565800
Phase Preclinical
Structure Type MOL
InChI Key IFZREGTUWSLBME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
4.12
ALogP
8
HBA
2
HBD
104.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N2O7
MW 466.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
38996194 10.1021/acs.jmedchem.4c00878 MCF7 1

Data from ChEMBL 36 via Core Engine