General Information of the Compound
Compound ID
CP0374296
Compound Name
(3S)-2-[((3-Amino-3-carboxy)propyl)(hydroxy)phosphinyl]ethanoic Acid
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Structure
Formula
C6H12NO6P
Molecular Weight
225.137
Canonical SMILES
N[C@@H](CCP(O)(=O)CC(O)=O)C(O)=O
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InChI
InChI=1S/C6H12NO6P/c7-4(6(10)11)1-2-14(12,13)3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1
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InChIKey
QNZCMPXFRMGKRU-BYPYZUCNSA-N
Physicochemical Property
logP
-0.8566
Rotatable Bonds
6
Heavy Atom Count
14
Polar Areas
137.92
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 24779944
SID: 49704296
ChEMBL ID
CHEMBL1089852
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 57000 nM
   TI
   LI
   LO
   TS
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 = 7400 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 > 100000 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 = 910 nM
   TI
   LI
   LO
   TS
2
EC50 = 2700 nM
   TI
   LI
   LO
   TS