General Information of the Compound
Compound ID
CP0546863
Compound Name
(2S)-2-amino-4-[hydroxy-[hydroxy-(4-hydroxyphenyl)methyl]phosphoryl]butanoic acid
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Structure
Formula
C11H16NO6P
Molecular Weight
289.224
Canonical SMILES
N[C@@H](CCP(O)(=O)C(O)c1ccc(O)cc1)C(O)=O
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InChI
InChI=1S/C11H16NO6P/c12-9(10(14)15)5-6-19(17,18)11(16)7-1-3-8(13)4-2-7/h1-4,9,11,13,16H,5-6,12H2,(H,14,15)(H,17,18)/t9-,11?/m0/s1
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InChIKey
GELHHLDBKJJPSS-FTNKSUMCSA-N
Physicochemical Property
logP
0.4555
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
141.08
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
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: 137634091
ChEMBL ID
CHEMBL4065496
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 = 7700 nM
   TI
   LI
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   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 = 25000 nM
   TI
   LI
   LO
   TS