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Compound Detail

CHEMBL446364

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O=C(NC1CCCCC1)c1cn(CCN2CCOCC2)c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446364
Phase Preclinical
Structure Type MOL
InChI Key YGHUDZOBAIMRQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
2.40
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O3
MW 383.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
17004710 10.1021/jm0603466 Cannabinoid receptor 1 1
17004710 10.1021/jm0603466 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine