General Information of the Compound
Compound ID
CP0374563
Compound Name
(+)-2-Amino-6-fluoro-4-oxo-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Synonyms
MGS 0028
MGS-0028
MGS0028
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Structure
Formula
C8H8FNO5
Molecular Weight
217.152
Canonical SMILES
N[C@]1(CC(=O)[C@@H]2[C@H]1[C@@]2(F)C(O)=O)C(O)=O
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InChI
InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1
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InChIKey
KFAGJPNFERWZJA-JKBXLQNXSA-N
Physicochemical Property
logP
-1.2198
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
117.69
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 9837317
SID: 14822576
ChEMBL ID
CHEMBL121053
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
2
Ki = 3.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT03263, Metabotropic glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
2
Ki = 3.62 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( MGS0028 )
Drug Name MGS0028
Target(s)
Metabotropic glutamate receptor 2 (mGluR2)
Agonist