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Compound Detail

CHEMBL2314421

[18F]FLUSPIDINE
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[17F]CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL2314421
Name [18F]FLUSPIDINE
Phase Preclinical
Structure Type MOL
InChI Key LDFPQKADFLEDQV-ONBQKKEBSA-N
Parent Compound CHEMBL1645202
Active Moiety CHEMBL1645202

Known Names

[18F]-Fluspidine
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names

Molecular Properties

325.4
MW (Da)
4.61
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24FNO
MW 323.43
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.30

Activity Summary

Ki 2 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vesicular acetylcholine transporter
CHEMBL4767
Ki 6.68 6.68 211.0 1
Emopamil-binding protein-like
CHEMBL2311238
Ki 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23199475 10.1016/j.bmc.2012.10.038 Brain 1
23199475 10.1016/j.bmc.2012.10.038 Emopamil-binding protein-like 1
23199475 10.1016/j.bmc.2012.10.038 Vesicular acetylcholine transporter 1

Data from ChEMBL 36 via Core Engine