General Information of the Compound
Compound ID
CP0120365
Compound Name
5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
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Synonyms
ADX-88178
MGluR4 PAM modulators (oral, Parkinson's disease/anxiety)
MGluR4 PAM modulators (oral, Parkinson's disease/anxiety), Addex/Merck & Co
MGluR4 positive modulators, Addex/Merck
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Structure
Formula
C12H12N6S
Molecular Weight
272.337
Canonical SMILES
Cc1sc(Nc2nccc(C)n2)nc1-c1cn[nH]c1
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InChI
InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)
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InChIKey
MIQNXKWDQRNHAU-UHFFFAOYSA-N
Physicochemical Property
logP
2.68364
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
79.38
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 46836872
SID: 99220043
ChEMBL ID
CHEMBL3609729
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 52 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 4 nM
Protein ID: PT03457, Metabotropic glutamate receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 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)  1
1
EC50 = 1200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ADX-88178 )
Drug Name ADX-88178
Company Addex Pharmaceuticals SA
Indication
Anxiety disorder
Investigative
Target(s)
Metabotropic glutamate receptor 4 (mGluR4)
Modulator