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Compound Detail

CHEMBL490506

SHOREAPHENOL
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O=C1c2cc(O)cc3oc(-c4ccc(O)cc4)c(c23)-c2cc(O)cc(O)c2C1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490506
Name SHOREAPHENOL
Phase Preclinical
Structure Type MOL
InChI Key HMIFNEKPRFKIQX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

466.4
MW (Da)
5.62
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H18O7
MW 466.45
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness 1.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17190464 10.1021/np060242y Valsa mali 1
17190464 10.1021/np060242y Pyricularia oryzae 1
17190464 10.1021/np060242y Alternaria alternata 1
17190464 10.1021/np060242y Alternaria solani 1
17190464 10.1021/np060242y Colletotrichum lagenaria 1
17190464 10.1021/np060242y Fusarium oxysporum f. sp. vasinfectum 1
17190464 10.1021/np060242y Urease 1

Data from ChEMBL 36 via Core Engine