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Compound Detail

CHEMBL386966

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O=C(NC1CCCCC1)c1cn(Cc2ccccc2F)c2nc(OCc3ccccc3F)ccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL386966
Phase Preclinical
Structure Type MOL
InChI Key PKUIALRPCPKQCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
5.36
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.37
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27F2N3O3
MW 503.55
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
17004710 10.1021/jm0603466 Cannabinoid receptor 1 1
17004710 10.1021/jm0603466 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine