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Compound Detail

CHEMBL3093190

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FC(F)(F)C(F)(F)CN1CCC(COc2nc3ccccc3c3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3093190
Phase Preclinical
Structure Type MOL
InChI Key UIVDPUVZWYLZOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
5.68
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.39
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 C22H21F5N2O
MW 424.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
24128816 10.1016/j.bmc.2013.08.061 5-hydroxytryptamine receptor 4 4

Data from ChEMBL 36 via Core Engine