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Compound Detail

CHEMBL428257

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Fc1ccc(C2(c3ccc(F)cc3)Oc3cc(F)c(CN4CCOCC4)cc3O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL428257
Phase Preclinical
Structure Type MOL
InChI Key NBHSLCWSMRDUQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
4.61
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.61
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 C24H20F3NO3
MW 427.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.84

Pharmacokinetic Data

Parameter Value Units Species
CL - - Homo sapiens
CL - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
18335976 10.1021/jm701487t Cannabinoid receptor 1 2
18335976 10.1021/jm701487t Liver microsomes 2
18335976 10.1021/jm701487t Mus musculus 1

Data from ChEMBL 36 via Core Engine