[18F]FEBA

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key JLSMEVZJDOGBNG-HSGWXFLFSA-N
Smiles COC(=O)CNC(=O)c1ccc(OCC[18F])cc1
InChI
InChI=1S/C12H14FNO4/c1-17-11(15)8-14-12(16)9-2-4-10(5-3-9)18-7-6-13/h2-5H,6-8H2,1H3,(H,14,16)/i13-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14FNO4
Molecular Weight 254.24
AlogP 1.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 64.63
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0
Assay Description Organism Bioactivity Reference
Clearance in tumor-bearing Mus musculus KM (mouse) blood at 3.7 MBq, iv measured at 60 min Mus musculus 96.0 %
Clearance in tumor-bearing Mus musculus KM (mouse) kidney at 3.7 MBq, iv measured at 60 min Mus musculus 97.0 %
Clearance in tumor-bearing Mus musculus KM (mouse) liver at 3.7 MBq, iv measured at 60 min Mus musculus 91.0 %
Biodistribution in tumor of Mus musculus KM (mouse) at 3.7 MBq, iv by microPET imaging analysis Mus musculus None
Biodistribution in tumor bearing Mus musculus KM (mouse) brain at 3.7 MBq, iv by microPET imaging analysis Mus musculus None
Biodistribution in tumor bearing Mus musculus KM (mouse) blood at 3.7 MBq, iv by microPET imaging analysis Mus musculus None
Biodistribution in tumor bearing Mus musculus KM (mouse) muscle at 3.7 MBq, iv by microPET imaging analysis Mus musculus None
Biodistribution in tumor bearing Mus musculus KM (mouse) kidney at 3.7 MBq, iv by microPET imaging analysis Mus musculus None
Biodistribution in tumor bearing Mus musculus KM (mouse) lung at 3.7 MBq, iv by microPET imaging analysis Mus musculus None
Biodistribution in tumor bearing Mus musculus KM (mouse) spleen at 3.7 MBq, iv by microPET imaging analysis Mus musculus None
Biodistribution in tumor bearing Mus musculus KM (mouse) liver at 3.7 MBq, iv by microPET imaging analysis Mus musculus None
Biodistribution in tumor bearing Mus musculus KM (mouse) heart at 3.7 MBq, iv by microPET imaging analysis Mus musculus None
Ratio of drug uptake in tumor to muscle in Mus musculus KM (mouse) at 3.7 MBq, iv at 120 min Mus musculus 1.03
Ratio of drug uptake in tumor to muscle in Mus musculus KM (mouse) at 3.7 MBq, iv at 60 min Mus musculus 2.8
Ratio of drug uptake in tumor to muscle in Mus musculus KM (mouse) at 3.7 MBq, iv at 15 min Mus musculus 1.84
Ratio of drug uptake in tumor to muscle in Mus musculus KM (mouse) at 3.7 MBq, iv at 30 min Mus musculus 1.82
Ratio of drug uptake in tumor to muscle in Mus musculus KM (mouse) at 3.7 MBq, iv at 5 min Mus musculus 1.05
Ratio of drug uptake in tumor to blood in Mus musculus KM (mouse) at 3.7 MBq, iv at 120 min Mus musculus 1.42
Ratio of drug uptake in tumor to blood in Mus musculus KM (mouse) at 3.7 MBq, iv at 60 min Mus musculus 1.51
Ratio of drug uptake in tumor to blood in Mus musculus KM (mouse) at 3.7 MBq, iv at 30 min Mus musculus 1.33
Ratio of drug uptake in tumor to blood in Mus musculus KM (mouse) at 3.7 MBq, iv at 5 min Mus musculus 0.45
Ratio of drug uptake in tumor to blood in Mus musculus KM (mouse) at 3.7 MBq, iv at 15 min Mus musculus 1.06
Biodistribution in tumor of Mus musculus KM (mouse) at 3.7 MBq, iv measured at 120 min by microPET imaging analysis Mus musculus 1.21 % ID/g
Biodistribution in tumor of Mus musculus KM (mouse) at 3.7 MBq, iv measured at 60 min by microPET imaging analysis Mus musculus 1.48 % ID/g
Biodistribution in tumor of Mus musculus KM (mouse) at 3.7 MBq, iv measured at 30 min by microPET imaging analysis Mus musculus 1.71 % ID/g
Biodistribution in tumor of Mus musculus KM (mouse) at 3.7 MBq, iv measured at 15 min by microPET imaging analysis Mus musculus 2.3 % ID/g
Biodistribution in tumor of Mus musculus KM (mouse) at 3.7 MBq, iv measured at 5 min by microPET imaging analysis Mus musculus 2.12 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) brain at 3.7 MBq, iv measured at 60 min by microPET imaging analysis Mus musculus 0.55 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) brain at 3.7 MBq, iv measured at 120 min by microPET imaging analysis Mus musculus 0.6 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) brain at 3.7 MBq, iv measured at 30 min by microPET imaging analysis Mus musculus 0.51 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) brain at 3.7 MBq, iv measured at 5 min by microPET imaging analysis Mus musculus 1.51 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) brain at 3.7 MBq, iv measured at 15 min by microPET imaging analysis Mus musculus 1.26 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) blood at 3.7 MBq, iv measured at 120 min by microPET imaging analysis Mus musculus 0.85 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) blood at 3.7 MBq, iv measured at 60 min by microPET imaging analysis Mus musculus 0.98 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) blood at 3.7 MBq, iv measured at 30 min by microPET imaging analysis Mus musculus 1.28 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) blood at 3.7 MBq, iv measured at 15 min by microPET imaging analysis Mus musculus 2.17 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) blood at 3.7 MBq, iv measured at 5 min by microPET imaging analysis Mus musculus 4.68 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) muscle at 3.7 MBq, iv measured at 120 min by microPET imaging analysis Mus musculus 1.17 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) muscle at 3.7 MBq, iv measured at 60 min by microPET imaging analysis Mus musculus 0.53 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) muscle at 3.7 MBq, iv measured at 30 min by microPET imaging analysis Mus musculus 0.94 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) muscle at 3.7 MBq, iv measured at 15 min by microPET imaging analysis Mus musculus 1.25 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) muscle at 3.7 MBq, iv measured at 5 min by microPET imaging analysis Mus musculus 2.02 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) kidney at 3.7 MBq, iv measured at 120 min by microPET imaging analysis Mus musculus 0.65 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) kidney at 3.7 MBq, iv measured at 60 min by microPET imaging analysis Mus musculus 0.97 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) kidney at 3.7 MBq, iv measured at 30 min by microPET imaging analysis Mus musculus 1.77 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) kidney at 3.7 MBq, iv measured at 15 min by microPET imaging analysis Mus musculus 4.07 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) kidney at 3.7 MBq, iv measured at 5 min by microPET imaging analysis Mus musculus 7.25 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) lung at 3.7 MBq, iv measured at 120 min by microPET imaging analysis Mus musculus 0.76 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) lung at 3.7 MBq, iv measured at 60 min by microPET imaging analysis Mus musculus 0.87 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) lung at 3.7 MBq, iv measured at 30 min by microPET imaging analysis Mus musculus 1.32 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) lung at 3.7 MBq, iv measured at 15 min by microPET imaging analysis Mus musculus 1.69 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) lung at 3.7 MBq, iv measured at 5 min by microPET imaging analysis Mus musculus 5.09 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) spleen at 3.7 MBq, iv measured at 120 min by microPET imaging analysis Mus musculus 0.6 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) spleen at 3.7 MBq, iv measured at 60 min by microPET imaging analysis Mus musculus 0.64 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) spleen at 3.7 MBq, iv measured at 30 min by microPET imaging analysis Mus musculus 0.79 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) spleen at 3.7 MBq, iv measured at 15 min by microPET imaging analysis Mus musculus 1.19 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) spleen at 3.7 MBq, iv measured at 5 min by microPET imaging analysis Mus musculus 2.04 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) liver at 3.7 MBq, iv measured at 120 min by microPET imaging analysis Mus musculus 0.68 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) liver at 3.7 MBq, iv measured at 60 min by microPET imaging analysis Mus musculus 0.73 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) liver at 3.7 MBq, iv measured at 30 min by microPET imaging analysis Mus musculus 1.08 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) liver at 3.7 MBq, iv measured at 15 min by microPET imaging analysis Mus musculus 2.11 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) liver at 3.7 MBq, iv measured at 5 min by microPET imaging analysis Mus musculus 4.19 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) heart at 3.7 MBq, iv measured at 120 min by microPET imaging analysis Mus musculus 0.77 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) heart at 3.7 MBq, iv measured at 60 min by microPET imaging analysis Mus musculus 0.91 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) heart at 3.7 MBq, iv measured at 30 min by microPET imaging analysis Mus musculus 0.95 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) heart at 3.7 MBq, iv measured at 15 min by microPET imaging analysis Mus musculus 1.93 % ID/g
Biodistribution in tumor bearing Mus musculus KM (mouse) heart at 3.7 MBq, iv measured at 5 min by microPET imaging analysis Mus musculus 2.64 % ID/g
Metabolic stability in serum after 1 hr by HPLC analysis None None
Chemical stability in acetonitrile at 60 degC up to 30 min by HPLC analysis None None
Chemical stability in sodium chloride up to 2 hr by HPLC analysis None None
Octanol-PBS partition coefficient of the compound at pH 7.4 by gamma counter None 0.57

Cross References

Resources Reference
ChEMBL CHEMBL2236112
PubChem 46843025
CONTENTS