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Compound Detail

CHEMBL3596743

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O=C(/C=C/C=C/c1ccc2c(c1)OCCO2)NC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3596743
Phase Preclinical
Structure Type MOL
InChI Key NUBZLTKBXBEFPN-ZPUQHVIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
2.31
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO3
MW 271.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.10

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