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Compound Detail

CHEMBL4853575

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CCCCC1(c2cc(OC)c3cc(C)c(=O)oc3c2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4853575
Phase Preclinical
Structure Type MOL
InChI Key DUQFJYCFSVXGAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
5.11
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.72
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26O3
MW 314.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.89

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