General Information of the Compound
Compound ID
CP0853331
Compound Name
(3S)-3-[((3-Amino-3-carboxy)propyl)(hydroxy)phosphinyl]-2-(hydroxymethyl)ethanoic Acid
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Structure
Formula
C6H12NO7P
Molecular Weight
241.136
Canonical SMILES
N[C@@H](CCP(=O)(O)C(O)C(=O)O)C(=O)O
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InChI
InChI=1S/C6H12NO7P/c7-3(4(8)9)1-2-15(13,14)6(12)5(10)11/h3,6,12H,1-2,7H2,(H,8,9)(H,10,11)(H,13,14)/t3-,6?/m0/s1
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InChIKey
SOZDQFDBWAJREO-FWRGRRDFSA-N
Physicochemical Property
logP
-1.5382
Rotatable Bonds
6
Heavy Atom Count
15
Polar Areas
158.15
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
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: 46197879
SID: 96051789
ChEMBL ID
CHEMBL1092316
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 7200 nM
   TI
   LI
   LO
   TS
Protein ID: PT04980, Metabotropic glutamate receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2900 nM
   TI
   LI
   LO
   TS