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Compound Detail

CHEMBL4173249

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COc1cc(O)c2c(=O)c(-c3ccc(O)c(OC)c3)coc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173249
Phase Preclinical
Structure Type MOL
InChI Key NMQZMHHAWZDJOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.89
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O6
MW 314.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 1.13

Literature References

PubMed DOI Target Context # Activities
29381070 10.1021/acs.jnatprod.7b00476 RBL-2H3 12
29381070 10.1021/acs.jnatprod.7b00476 Neutrophil 4
33412152 10.1016/j.bmcl.2021.127775 C2C12 4
33412152 10.1016/j.bmcl.2021.127775 Tyrosine-protein phosphatase non-receptor type 1 2
37683361 10.1016/j.ejmech.2023.115791 Neutrophil 1

Data from ChEMBL 36 via Core Engine