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Compound Detail

CHEMBL4285985

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COc1ccc(C(=O)c2cn(CC3CCOC3)c3ccc(O)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4285985
Phase Preclinical
Structure Type MOL
InChI Key HOGDOVSQOPDZSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.62
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.71
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 C21H21NO4
MW 351.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
29407590 10.1016/j.ejmech.2017.11.076 Cannabinoid receptor 2 2
29407590 10.1016/j.ejmech.2017.11.076 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine