General Information of the Compound
Compound ID
CP0871657
Compound Name
Cis-1-Amino-2-(4'-hydroxy-[1,2,5]thiadiazol-3'-ylmethyl)-cyclopropanecarboxylic acid Hydrochloride
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Structure
Formula
C7H10ClN3O3S
Molecular Weight
251.695
Canonical SMILES
Cl.N[C@]1(C(=O)O)C[C@H]1Cc1nsnc1O
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InChI
InChI=1S/C7H9N3O3S.ClH/c8-7(6(12)13)2-3(7)1-4-5(11)10-14-9-4;/h3H,1-2,8H2,(H,10,11)(H,12,13);1H/t3-,7-;/m1./s1
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InChIKey
LMDKZMGPXHHZST-ASWTZPABSA-N
Physicochemical Property
logP
0.01
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
109.33
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
15

"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: 118718091
ChEMBL ID
CHEMBL3347672
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: PT01994, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 3000 nM
   TI
   LI
   LO
   TS
2
Ki = 3019.95 nM
   TI
   LI
   LO
   TS