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Compound Detail

CHEMBL4474930

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CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cnn(-c3cc(F)cc(F)c3)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4474930
Phase Preclinical
Structure Type MOL
InChI Key FZNNYTYDFCBWET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
7.40
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32F2N2O2
MW 454.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
27309150 10.1021/acs.jmedchem.6b00397 Cannabinoid receptor 1 1
27309150 10.1021/acs.jmedchem.6b00397 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine