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Compound Detail

CHEMBL4743915

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COc1ccc2sc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4743915
Phase Preclinical
Structure Type MOL
InChI Key DVUWHOPXWGEPJL-ALCCZGGFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
5.11
ALogP
5
HBA
0
HBD
36.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O4S
MW 356.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
33618157 10.1016/j.ejmech.2021.113275 Tubulin 2
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

Data from ChEMBL 36 via Core Engine