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Compound Detail

CHEMBL208988

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COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1-c1c(OC)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL208988
Phase Preclinical
Structure Type MOL
InChI Key OVCFMRWVQJAWDY-UHFFFAOYSA-N

Known Names

4',7'-O-Methylamentoflavone
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
1
Known Names

Molecular Properties

566.5
MW (Da)
5.74
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H22O10
MW 566.52
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness 1.10

Literature References

PubMed DOI Target Context # Activities
16574412 10.1016/j.bmcl.2006.03.018 Osteoblast 4
12502337 10.1021/np020289t Unchecked 1
12502337 10.1021/np020289t Candida albicans 1
12502337 10.1021/np020289t Cryptococcus neoformans 1
20598535 10.1016/j.bmcl.2010.06.021 Beta-secretase 1 1
26004578 10.1016/j.bmcl.2015.04.106 NON-PROTEIN TARGET 1
31138471 10.1016/j.bmcl.2019.05.020 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine