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Compound Detail

CHEMBL3596748

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O=C(CCCCCOc1cccc2ccccc12)NCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3596748
Phase Preclinical
Structure Type MOL
InChI Key BKXSBAGLWSKFLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
2.89
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO3
MW 301.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00232F Cannabinoid receptor 1 3
- 10.1039/C4MD00232F Cannabinoid receptor 2 3

Data from ChEMBL 36 via Core Engine