General Information of the Compound
Compound ID
CP0059516
Compound Name
(S)-3-(amino(carboxy)methyl)bicyclo[1.1.1]pentane-1-carboxylic acid
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Synonyms
(R)-3-(amino(carboxy)methyl)bicyclo[1.1.1]pentane-1-carboxylic acid
(S)-(+)-CBPG
(S)-3-(amino(carboxy)methyl)bicyclo[1.1.1]pentane-1-carboxylic acid
(s)-(+)-2-(3'-carboxybicyclo[1.1.1]pentyl)-glycine
180465-02-5
3-[(S)-amino(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
AC1NSJVN
AC1Q4UAL
AKOS026740795
AS-44366
BDBM50052256
CBPG
CHEMBL43412
CS-0078773
CTK7I3432
EN300-88066
FCH4013584
GTPL3421
KS-00000111
MolPort-005-313-665
MolPort-044-812-180
OR312475
S-(+)-CBPG
SCHEMBL1308145
ZINC1485767
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Structure
Formula
C8H11NO4
Molecular Weight
185.179
Canonical SMILES
N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
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InChI
InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)/t4-,7?,8?/m1/s1
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InChIKey
KNSHLWJBSDBBRH-XOJFDHPMSA-N
Physicochemical Property
logP
-0.3468
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
100.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 5311040
SID: 15120700
ChEMBL ID
CHEMBL43412
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: PT02444, Metabotropic glutamate receptor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 25000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02446, Metabotropic glutamate receptor 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 > 100000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (S)-(+)-CBPG )
Drug Name (S)-(+)-CBPG
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
 Target Info 
Agonist
Metabotropic glutamate receptor 1 (mGluR1)
 Target Info 
Antagonist