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Compound Detail

CHEMBL4585561

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CCCCCn1c(=O)sc2cc(C(=O)C3C(C)(C)C3(C)C)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4585561
Phase Preclinical
Structure Type MOL
InChI Key ZZTIUAYUTMQREZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
5.12
ALogP
4
HBA
0
HBD
39.1
PSA (Ų)
0.54
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 C20H27NO2S
MW 345.51
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
30583970 10.1016/j.ejmech.2018.12.008 Cannabinoid receptor 2 2
30583970 10.1016/j.ejmech.2018.12.008 Unchecked 1
30583970 10.1016/j.ejmech.2018.12.008 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine