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Compound Detail

CHEMBL3342637

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O=C1CCC2(Oc3cccc4cccc(c34)O2)c2c(Cl)ccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342637
Phase Preclinical
Structure Type MOL
InChI Key YWUWMXDEUDNGHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
4.80
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.63
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 C20H13ClO4
MW 352.77
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 1.07

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
30102534 10.1021/acs.jnatprod.8b00258 Aedes albopictus 1

Data from ChEMBL 36 via Core Engine