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Compound Detail

CHEMBL3342631

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Oc1ccc(O)c2c1C=C[C@@H](O)C21Oc2cccc3cccc(c23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342631
Phase Preclinical
Structure Type MOL
InChI Key QXONVTMVYZPQIX-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
3.26
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H14O5
MW 334.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 1.64

Literature References

PubMed DOI Target Context # Activities
25237727 10.1021/np400988a NON-PROTEIN TARGET 3
25237727 10.1021/np400988a Pseudomonas 1
25237727 10.1021/np400988a Ralstonia solanacearum 1
25237727 10.1021/np400988a Staphylococcus haemolyticus 1
25237727 10.1021/np400988a Agrobacterium tumefaciens 1
25237727 10.1021/np400988a Bacillus subtilis 1
25237727 10.1021/np400988a Xanthomonas vesicatoria 1
25237727 10.1021/np400988a Pyricularia oryzae 1
25237727 10.1021/np400988a A549 1
25237727 10.1021/np400988a A2780 1

Data from ChEMBL 36 via Core Engine