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Compound Detail

CHEMBL3221194

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O=C1N=C2SCCCN2/C1=C\C=C\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3221194
Phase Preclinical
Structure Type MOL
InChI Key APRBPPZVNUNKCS-VEJZVKIUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
2.92
ALogP
3
HBA
0
HBD
32.7
PSA (Ų)
0.77
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 C15H14N2OS
MW 270.36
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.71

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