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Compound Detail

CHEMBL1789657

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COc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1CCC(C)(C)O)OC(C)(C)CC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789657
Phase Preclinical
Structure Type MOL
InChI Key QEERGWNVXZILOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.17
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28O7
MW 428.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 2.03

Literature References

PubMed DOI Target Context # Activities
32795625 10.1016/j.bmcl.2020.127494 Enterococcus faecalis 2
32795625 10.1016/j.bmcl.2020.127494 Staphylococcus aureus 1
32795625 10.1016/j.bmcl.2020.127494 Bacillus subtilis 1
32795625 10.1016/j.bmcl.2020.127494 Salmonella typhi 1
32795625 10.1016/j.bmcl.2020.127494 Shigella sonnei 1
32795625 10.1016/j.bmcl.2020.127494 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine