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Compound Detail

CHEMBL423124

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COc1ccc(C(=O)c2c(C)n(CCC3CCCCN3C)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423124
Phase Preclinical
Structure Type MOL
InChI Key XQYFYLXGHBKPSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
5.06
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2O2
MW 390.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00560-G Cannabinoid receptor 1
- 10.1016/0960-894X(95)00560-G Mus musculus 1

Data from ChEMBL 36 via Core Engine