Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4762961

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccsc1/C=C\c1cc(OC)c(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4762961
Phase Preclinical
Structure Type MOL
InChI Key VFTICDMKHKGWMA-WAYWQWQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
3.95
ALogP
5
HBA
0
HBD
36.9
PSA (Ų)
0.81
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 C16H18O4S
MW 306.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
33618157 10.1016/j.ejmech.2021.113275 Tubulin 1
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