General Information of the Compound
| Compound ID |
CP0373040
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
(2S)-2-amino-3-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid
(S)-(-)-5-fluorowillardiine
(S)-(-)-5-fluorowillardine
(S)-5-FLUOROWILLARDIINE
(S)-5-fluorowillardiine
(S)-F-Willardiine
(S)-alpha-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimmidinepropanoic acid
140187-23-1
2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
3-(5-fluorouracil-1-yl)-L-alanine
5-Fluorowillardiine
CHEBI:42549
CHEMBL123132
FLUORO-WILLARDIINE
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C7H8FN3O4
|
||||||||||||||||||
| Molecular Weight |
217.156
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBWPFHJYSTVBCZ-BYPYZUCNSA-N
|
||||||||||||||||||
| CAS |
140187-23-1
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02409, Glutamate receptor 1
Protein ID: PT03542, Glutamate receptor 1
Protein ID: PT01414, Glutamate receptor 2
Protein ID: PT01829, Glutamate receptor 2
Protein ID: PT03116, Glutamate receptor 3
Protein ID: PT06060, Glutamate receptor 4
Protein ID: PT03593, Glutamate receptor 4
Protein ID: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Protein ID: PT03594, Glutamate receptor ionotropic, kainate 5
Clinical Information about the Compound