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Compound Detail

CHEMBL4873938

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CCCCCc1cc(OC)c2cc(Cc3ccncc3)c(=O)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4873938
Phase Preclinical
Structure Type MOL
InChI Key ISCAIPJNPCMLMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
4.52
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO3
MW 337.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.47

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