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Compound Detail

CHEMBL302540

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COc1ccc(C(=O)c2c(C)n(CC3C[S+]([O-])CCN3C)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302540
Phase Preclinical
Structure Type MOL
InChI Key NZEQYIVAFPYFGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.25
ALogP
5
HBA
0
HBD
57.5
PSA (Ų)
0.48
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 C23H26N2O3S
MW 410.54
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00560-G Cannabinoid receptor 1
- 10.1016/0960-894X(95)00560-G Mus musculus 1

Data from ChEMBL 36 via Core Engine