General Information of the Compound
Compound ID
CP0347808
Compound Name
(S)-Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid
    Show/Hide
Structure
Formula
C5H6N2O4
Molecular Weight
158.113
Canonical SMILES
N[C@H](C(O)=O)c1cc(=O)[nH]o1
    Show/Hide
InChI
InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)/t4-/m0/s1
    Show/Hide
InChIKey
IRJCBFDCFXCWGO-BYPYZUCNSA-N
Physicochemical Property
logP
-0.9477
Rotatable Bonds
2
Heavy Atom Count
11
Polar Areas
109.32
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
11

"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: 6603885
ChEMBL ID
CHEMBL30285
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000544 CREM010i-SS9-1 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01414, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000544 CREM010i-SS9-1 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03116, Glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000544 CREM010i-SS9-1 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06060, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000544 CREM010i-SS9-1 Homo sapiens (Human)  1
1
Ki > 100000 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
CL000544 CREM010i-SS9-1 Homo sapiens (Human)  1
1
Ki = 2430 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
CL000544 CREM010i-SS9-1 Homo sapiens (Human)  1
1
Ki = 3230 nM
   TI
   LI
   LO
   TS
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000544 CREM010i-SS9-1 Homo sapiens (Human)  1
1
Ki = 1740 nM
   TI
   LI
   LO
   TS