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Compound Detail

CHEMBL4858829

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CCCCCc1cc(O)c2cc(Cc3cccnc3)c(=O)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858829
Phase Preclinical
Structure Type MOL
InChI Key BDEAMPYXSWAOJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
4.22
ALogP
4
HBA
1
HBD
63.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO3
MW 323.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
33915369 10.1016/j.ejmech.2021.113354 Cannabinoid receptor 1 2
33915369 10.1016/j.ejmech.2021.113354 Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine