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Compound Detail

CHEMBL4282977

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COc1ccc(C(=O)c2cn(CC3CCOCC3)c3c(OCCCCC(=O)NCCOCCOCCNC(C)=O)cccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4282977
Phase Preclinical
Structure Type MOL
InChI Key VBAPZAPFIMXFJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

637.8
MW (Da)
4.14
ALogP
9
HBA
2
HBD
126.3
PSA (Ų)
0.14
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H47N3O8
MW 637.77
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.74

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 2

Data from ChEMBL 36 via Core Engine