General Information of the Compound
Compound ID
CP0374295
Compound Name
(3S)-2-[(((3-Amino-3-carboxy)propyl)(hydroxy)phosphinyl)-methyl]butan-1,4-dioic Acid
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Structure
Formula
C9H16NO8P
Molecular Weight
297.2
Canonical SMILES
N[C@@H](CCP(O)(=O)CC(CC(O)=O)C(O)=O)C(O)=O
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InChI
InChI=1S/C9H16NO8P/c10-6(9(15)16)1-2-19(17,18)4-5(8(13)14)3-7(11)12/h5-6H,1-4,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t5?,6-/m0/s1
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InChIKey
PGKLRXONCFHSCZ-GDVGLLTNSA-N
Physicochemical Property
logP
-0.7657
Rotatable Bonds
9
Heavy Atom Count
19
Polar Areas
175.22
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: 24779945
SID: 49704297
ChEMBL ID
CHEMBL1092315
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)  2
1
EC50 = 2400 nM
   TI
   LI
   LO
   TS
2
EC50 = 4600 nM
   TI
   LI
   LO
   TS
Protein ID: PT02445, Metabotropic glutamate receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 42000 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)  2
1
EC50 = 3500 nM
   TI
   LI
   LO
   TS
2
EC50 = 38000 nM
   TI
   LI
   LO
   TS