General Information of the Compound
Compound ID
CP0758534
Compound Name
(R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid
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Structure
Formula
C7H8N2O4
Molecular Weight
184.151
Canonical SMILES
O=C(O)C1Cc2c(O)noc2CN1
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InChI
InChI=1S/C7H8N2O4/c10-6-3-1-4(7(11)12)8-2-5(3)13-9-6/h4,8H,1-2H2,(H,9,10)(H,11,12)
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InChIKey
QOFAMUTZWHXYLI-UHFFFAOYSA-N
Physicochemical Property
logP
-0.5209
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
95.59
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
13

"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).

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PubChem ID
CID: 10375113
SID: 15389184
ChEMBL ID
CHEMBL2092841
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 = 360 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 = 600 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 = 840 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 = 640 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 = 10100 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 > 100000 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 = 54000 nM
   TI
   LI
   LO
   TS