General Information of the Compound
Compound ID
CP0103369
Compound Name
2-Amino-4-(4-hydroxy-[1,2,5]thiadiazol-3-yl)-butyric acid
    Show/Hide
Structure
Formula
C6H9N3O3S
Molecular Weight
203.223
Canonical SMILES
N[C@H](CCc1ns[nH]c1=O)C(O)=O
    Show/Hide
InChI
InChI=1S/C6H9N3O3S/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)/t3-/m1/s1
    Show/Hide
InChIKey
AJASJCCJLLTPOF-GSVOUGTGSA-N
Physicochemical Property
logP
-0.8241
Rotatable Bonds
4
Heavy Atom Count
13
Polar Areas
109.07
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
13

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9837114
SID: 14797543
ChEMBL ID
CHEMBL334842
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 37000 nM
   TI
   LI
   LO
   TS