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Compound Detail

CHEMBL4470575

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COc1ccc(Cc2nc3cc(C(C)=O)ccc3n2C[C@@H]2CCCN3CCCC[C@H]23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4470575
Phase Preclinical
Structure Type MOL
InChI Key UESORWCQFPYQSQ-WIOPSUGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.6
MW (Da)
5.10
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N3O2
MW 431.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
30647880 10.1039/C8MD00461G Cannabinoid receptor 1 2
30647880 10.1039/C8MD00461G Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine