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Compound Detail

CHEMBL3220958

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O=C1/C(=C/c2cccc([N+](=O)[O-])c2)N=C2SCCCN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3220958
Phase Preclinical
Structure Type MOL
InChI Key JZGOUOWBFXUHJO-FLIBITNWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
2.27
ALogP
5
HBA
0
HBD
75.8
PSA (Ų)
0.48
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 C13H11N3O3S
MW 289.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.80

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