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Compound Detail

CHEMBL2181545

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CCCCC1(c2cc(OC)c3cc(Cc4ccccc4OC)c(=O)oc3c2)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181545
Phase Preclinical
Structure Type MOL
InChI Key HFQQAEKLEDHEFF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
6.79
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.37
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 C28H34O4
MW 434.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
22916707 10.1021/jm3008213 Cannabinoid receptor 2 3
22916707 10.1021/jm3008213 Cannabinoid receptor 1 3
23679955 10.1021/jm4005175 G-protein coupled receptor 55 3
23679955 10.1021/jm4005175 Cannabinoid receptor 2 2
23679955 10.1021/jm4005175 Cannabinoid receptor 1 2
23679955 10.1021/jm4005175 N-arachidonyl glycine receptor 2

Data from ChEMBL 36 via Core Engine