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Compound Detail

CHEMBL3342639

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COC(=O)[C@@]1(O)C(=O)c2c(O)cccc2C12Oc1cccc3cccc(c13)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3342639
Phase Preclinical
Structure Type MOL
InChI Key ILTAFHSQIBJTEW-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

378.3
MW (Da)
2.27
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H14O7
MW 378.34
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 1.37

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