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Compound Detail

CHEMBL3747147

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C=C(c1ccsc1)c1cc(OC)c(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747147
Phase Preclinical
Structure Type MOL
InChI Key WMLCCZXTLWLPCL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
3.84
ALogP
4
HBA
0
HBD
27.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16O3S
MW 276.36
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
26602281 10.1016/j.bmcl.2015.11.010 MES-SA 1
26602281 10.1016/j.bmcl.2015.11.010 NON-PROTEIN TARGET 1
26602281 10.1016/j.bmcl.2015.11.010 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