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Compound Detail

CHEMBL4755496

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O=C(c1ccccc1)c1cc(O)c(-c2ccsc2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4755496
Phase Preclinical
Structure Type MOL
InChI Key HUUUTLKDTJDDSZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
4.06
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12O3S
MW 296.35
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
33550084 10.1016/j.bmc.2021.116035 Cannabinoid receptor 1 3
33550084 10.1016/j.bmc.2021.116035 Cannabinoid receptor 2 3
33550084 10.1016/j.bmc.2021.116035 Unchecked 1

Data from ChEMBL 36 via Core Engine