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Compound Detail

CHEMBL109549

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CCCCCCC(C)(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)CC21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109549
Phase Preclinical
Structure Type MOL
InChI Key NAPXWHRSAVXKIB-BPGUCPLFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
6.54
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38O5
MW 442.60
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.47

Literature References

PubMed DOI Target Context # Activities
9379442 10.1021/jm970126f Cannabinoid receptor 1 3
9379442 10.1021/jm970126f Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine