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Compound Detail

CHEMBL4871308

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COc1cc2[nH]c3c(c2c(OC)c1OC)C(=O)c1c(OC)cccc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4871308
Phase Preclinical
Structure Type MOL
InChI Key WSPIVGHSVUIGCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
2.98
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17NO6
MW 367.36
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.79

Literature References

PubMed DOI Target Context # Activities
34303812 10.1016/j.bmcl.2021.128274 MDA-MB-231 1
34303812 10.1016/j.bmcl.2021.128274 MCF7 1
34303812 10.1016/j.bmcl.2021.128274 Unchecked 1

Data from ChEMBL 36 via Core Engine