General Information of the Compound
Compound ID
CP0932553
Compound Name
(3S)-2-[(((3-Amino-3-carboxy)propyl)(hydroxy)phosphinyl)-methyl]oxotetrahydrofuran-3-yl
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Structure
Formula
C9H16NO6P
Molecular Weight
265.202
Canonical SMILES
N[C@@H](CCP(=O)(O)CC1CCOC1=O)C(=O)O
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InChI
InChI=1S/C9H16NO6P/c10-7(8(11)12)2-4-17(14,15)5-6-1-3-16-9(6)13/h6-7H,1-5,10H2,(H,11,12)(H,14,15)/t6?,7-/m0/s1
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InChIKey
SKGNYEKKZWGOBE-MLWJPKLSSA-N
Physicochemical Property
logP
-0.3781
Rotatable Bonds
6
Heavy Atom Count
17
Polar Areas
126.92
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 46197877
SID: 96051787
ChEMBL ID
CHEMBL1092314
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: PT04980, Metabotropic glutamate receptor 8
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