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Compound Detail

CHEMBL3342636

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O=C1C[C@H](O)[C@H](O)C2=C[C@H](O)[C@@H](O)C3(Oc4cccc5cccc(c45)O3)[C@]12O

Basic Information

ChEMBL ID CHEMBL3342636
Phase Preclinical
Structure Type MOL
InChI Key QUYXDKPCDHWNLZ-OHUKFJGISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
-0.61
ALogP
8
HBA
5
HBD
136.7
PSA (Ų)
0.38
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 C20H18O8
MW 386.36
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.87

Literature References

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