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Compound Detail

CHEMBL3221205

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O=C1/C(=C/c2ccccc2)N=C2SCCCN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3221205
Phase Preclinical
Structure Type MOL
InChI Key VPVLVCLXJKWFTA-LUAWRHEFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
2.36
ALogP
3
HBA
0
HBD
32.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2OS
MW 244.32
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00394A G-protein coupled receptor 35 4
- 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