General Information of the Compound
Compound ID
CP0514128
Compound Name
ADX48621
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Synonyms
3590AH
6-Fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine
6-fluoro-2-[4-(2-pyridinyl)-3-butyn-1-yl]-Imidazo[1,2-a]pyridine
872363-17-2
ADX 48621;ADX48621;ADX-48621
ADX-48621
ADX48621
AKOS030526956
BCP23706
BDBM50431705
C16H12FN3
CHEMBL2346738
CS-0690
CV8JZR21A1
DB-076892
DB12733
DTXSID90236230
Dipraglurant
Dipraglurant [INN]
FT-0705373
GTPL6452
HY-14859
J3.560.334D
NCGC00351745-02
SB16993
SCHEMBL103033
UNII-CV8JZR21A1
W-5761
ZINC72266314
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Structure
Formula
C16H12FN3
Molecular Weight
265.291
Canonical SMILES
Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1
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InChI
InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2
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InChIKey
LZXMUJCJAWVHPZ-UHFFFAOYSA-N
CAS
872363-17-2
Physicochemical Property
logP
2.8527
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
30.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 44557636
SID: 87241159
ChEMBL ID
CHEMBL2346738
DrugBank ID
DB12733
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ADX-48621 )
Drug Name ADX-48621
Company Addex Pharma.
Indication
Parkinson disease
Phase 2/3
Mood disorder
Phase 2
Dyskinesia
Phase 2
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Modulator