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Compound Detail

CHEMBL3220949

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O=C1N=C2SCCCN2C1(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3220949
Phase Preclinical
Structure Type MOL
InChI Key ZFEOUZINYPNLSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.27
ALogP
3
HBA
0
HBD
32.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2OS
MW 308.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00394A Cannabinoid receptor 1 4
- 10.1039/C3MD00394A G-protein coupled receptor 55 3
- 10.1039/C3MD00394A N-arachidonyl glycine receptor 3
- 10.1039/C3MD00394A Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine