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Compound Detail

CHEMBL473696

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Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473696
Phase Preclinical
Structure Type MOL
InChI Key PTRDBTZWZWTYOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
0.20
ALogP
6
HBA
1
HBD
101.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N5O3S
MW 309.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.48

Literature References

PubMed DOI Target Context # Activities
19091565 10.1016/j.bmcl.2008.11.091 Cannabinoid receptor 2 2
19091565 10.1016/j.bmcl.2008.11.091 Cannabinoid receptor 1 1
19091565 10.1016/j.bmcl.2008.11.091 Unchecked 1

Data from ChEMBL 36 via Core Engine