General Information of the Compound
Compound ID
CP0517733
Compound Name
(2S)-2-amino-4-[hydroxy-[hydroxy-(6-oxo-1H-pyridin-3-yl)methyl]phosphoryl]butanoic acid
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Structure
Formula
C10H15N2O6P
Molecular Weight
290.212
Canonical SMILES
N[C@@H](CCP(O)(=O)C(O)c1ccc(O)nc1)C(O)=O
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InChI
InChI=1S/C10H15N2O6P/c11-7(9(14)15)3-4-19(17,18)10(16)6-1-2-8(13)12-5-6/h1-2,5,7,10,16H,3-4,11H2,(H,12,13)(H,14,15)(H,17,18)/t7-,10?/m0/s1
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InChIKey
IWSOVWGKYIPUOH-BYDSUWOYSA-N
Physicochemical Property
logP
-0.1495
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
153.97
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 137636549
ChEMBL ID
CHEMBL4059974
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 33000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02739, Metabotropic glutamate receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 17000 nM
   TI
   LI
   LO
   TS