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Compound Detail

CHEMBL3093193

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Fc1cccc2c1nc(OCC1CCN(CC(F)(F)C(F)(F)F)CC1)c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3093193
Phase Preclinical
Structure Type MOL
InChI Key BIOIBTPQQITMJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
5.82
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.37
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 C22H20F6N2O
MW 442.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.95

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