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Compound Detail

CHEMBL4293565

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COc1ccc(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCOCCOCCOCCNC(C)=O)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4293565
Phase Preclinical
Structure Type MOL
InChI Key JCSXTLYBYJBFDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

582.7
MW (Da)
3.87
ALogP
9
HBA
1
HBD
106.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H42N2O8
MW 582.69
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.88

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