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Compound Detail

CHEMBL3325828

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COc1ccc(Cc2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCCN3CCCC[C@H]23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325828
Phase Preclinical
Structure Type MOL
InChI Key TZCMOUOFLGIXFI-WMZHIEFXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
5.92
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30F3N3O
MW 457.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
25082514 10.1016/j.bmc.2014.06.043 ADMET 2
30647880 10.1039/C8MD00461G Cannabinoid receptor 1 2
30647880 10.1039/C8MD00461G Cannabinoid receptor 2 2
25082514 10.1016/j.bmc.2014.06.043 MT4 1
25082514 10.1016/j.bmc.2014.06.043 Human immunodeficiency virus 1 1
25082514 10.1016/j.bmc.2014.06.043 Bovine viral diarrhea virus 1 1
25082514 10.1016/j.bmc.2014.06.043 NON-PROTEIN TARGET 1
25082514 10.1016/j.bmc.2014.06.043 Yellow fever virus 1
25082514 10.1016/j.bmc.2014.06.043 Reovirus sp. 1
25082514 10.1016/j.bmc.2014.06.043 Coxsackievirus B5 1
25082514 10.1016/j.bmc.2014.06.043 Poliovirus 1 1
25082514 10.1016/j.bmc.2014.06.043 Respiratory syncytial virus 1
25082514 10.1016/j.bmc.2014.06.043 Vesicular stomatitis virus 1
25082514 10.1016/j.bmc.2014.06.043 Vaccinia virus 1
25082514 10.1016/j.bmc.2014.06.043 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine