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Compound Detail

CHEMBL3093184

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Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1ccccc12

Basic Information

ChEMBL ID CHEMBL3093184
Phase Preclinical
Structure Type MOL
InChI Key XAZQFACBIVPCDI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
5.96
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F4N2O
MW 420.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.18

Activity Summary

Ki 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL5017
Ki 7.85 7.85 14.1 1

Activity Data Samples

Top measurements by pChEMBL value

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