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Compound Detail

CHEMBL4284521

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O=C(O)COc1ccc2c(c1)c(C(=O)c1cccc3ccccc13)cn2CCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4284521
Phase Preclinical
Structure Type MOL
InChI Key ZJKXVAVMNZYDNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
3.82
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N2O5
MW 458.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.17

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