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Compound Detail

CHEMBL4793584

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COc1cc(C(=O)C(=O)c2cc3ccccc3s2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4793584
Phase Preclinical
Structure Type MOL
InChI Key SFZVLZWZEBTKNU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.99
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16O5S
MW 356.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
33618157 10.1016/j.ejmech.2021.113275 MES-SA/Dx5 1
33618157 10.1016/j.ejmech.2021.113275 RL 1
33618157 10.1016/j.ejmech.2021.113275 A2780 1
33618157 10.1016/j.ejmech.2021.113275 MIA PaCa-2 1
33618157 10.1016/j.ejmech.2021.113275 Tubulin 1

Data from ChEMBL 36 via Core Engine