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Compound Detail

CHEMBL4176969

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O=C(c1cccc2ccccc12)c1ccc(OCCCCCCO)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176969
Phase Preclinical
Structure Type MOL
InChI Key USNWARACXBFKDG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
6.16
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26O3
MW 398.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
30217464 10.1016/j.bmc.2018.09.007 Cannabinoid receptor 2 3
30217464 10.1016/j.bmc.2018.09.007 Cannabinoid receptor 1 3
30217464 10.1016/j.bmc.2018.09.007 Unchecked 1

Data from ChEMBL 36 via Core Engine