dipraglurant   Click here for help

GtoPdb Ligand ID: 6452

Synonyms: ADX48621
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 30.19
Molecular weight 265.1
XLogP 3.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1
Isomeric SMILES Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1
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
InChI Key LZXMUJCJAWVHPZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-{6-fluoroimidazo[1,2-a]pyridin-2-yl}but-1-yn-1-yl)pyridine
International Nonproprietary Names Click here for help
INN number INN
9180 dipraglurant
Synonyms Click here for help
ADX48621
Database Links Click here for help
CAS Registry No. 872363-17-2 (source: Scifinder)
ChEMBL Ligand CHEMBL2346738
GtoPdb PubChem SID 178103068
PubChem CID 44557636
Search Google for chemical match using the InChIKey LZXMUJCJAWVHPZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LZXMUJCJAWVHPZ
Search PubMed clinical trials dipraglurant
Search PubMed titles dipraglurant
Search PubMed titles/abstracts dipraglurant
UniChem Compound Search for chemical match using the InChIKey LZXMUJCJAWVHPZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LZXMUJCJAWVHPZ-UHFFFAOYSA-N
Wikipedia Dipraglurant