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Compound Detail

CHEMBL5289191

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COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1ccc1cc(O)ccc13)CCc1cc(O)ccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289191
Phase Preclinical
Structure Type MOL
InChI Key WAGHNVSMIQWJHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
6.27
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H24O6
MW 480.52
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness 1.30

Literature References

PubMed DOI Target Context # Activities
29280630 10.1021/acs.jnatprod.7b00619 HL-60 1
29280630 10.1021/acs.jnatprod.7b00619 No relevant target 1

Data from ChEMBL 36 via Core Engine