General Information of the Compound
Compound ID
CP0407305
Compound Name
(2S)-2-amino-4-[hydroxy-[(4-hydroxy-3-nitrophenyl)methyl]phosphoryl]butanoic acid
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Structure
Formula
C11H15N2O7P
Molecular Weight
318.222
Canonical SMILES
N[C@@H](CCP(O)(=O)Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
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InChI
InChI=1S/C11H15N2O7P/c12-8(11(15)16)3-4-21(19,20)6-7-1-2-10(14)9(5-7)13(17)18/h1-2,5,8,14H,3-4,6,12H2,(H,15,16)(H,19,20)/t8-/m0/s1
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InChIKey
ZJMMIQORYZRSFH-QMMMGPOBSA-N
Physicochemical Property
logP
0.8728
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
163.99
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 137646034
ChEMBL ID
CHEMBL4082813
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 = 24000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02744, Metabotropic glutamate receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01311, Metabotropic glutamate receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS