General Information of the Compound
Compound ID
CP0378927
Compound Name
(S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5-yl)-isoxazol-4-yl]-propionic acid
    Show/Hide
Structure
Formula
C8H10N6O4
Molecular Weight
254.206
Canonical SMILES
Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
    Show/Hide
InChI
InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
    Show/Hide
InChIKey
YXLQKZHKWIKJKC-BYPYZUCNSA-N
Physicochemical Property
logP
-1.8872
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
152.92
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
18

"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
CID: 447081
ChEMBL ID
CHEMBL370038
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: PT03542, Glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 5.22 nM
   TI
   LI
   LO
   TS
Protein ID: PT01829, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 3.89 nM
   TI
   LI
   LO
   TS
Protein ID: PT01407, Glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 2.24 nM
   TI
   LI
   LO
   TS
Protein ID: PT03593, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 2.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT02200, Glutamate receptor ionotropic, kainate 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 0.081 nM
   TI
   LI
   LO
   TS
Protein ID: PT01518, Glutamate receptor ionotropic, kainate 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 81 nM
   TI
   LI
   LO
   TS
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 19 nM
   TI
   LI
   LO
   TS
Protein ID: PT02754, Glutamate receptor ionotropic, kainate 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 18800 nM
   TI
   LI
   LO
   TS