(R)-ZINC-3573   Click here for help

GtoPdb Ligand ID: 9566

Synonyms: ZINC-72453573
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: (R)-ZINC-3573 is a selective probe for the orphan GPCR, MAS-related G protein-coupled receptor member X2 (MRGPRX2) [1]. The (S)-enantiomer is inactive at this receptor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 36.67
Molecular weight 307.18
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(C1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C
Isomeric SMILES CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C
InChI InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3/t15-/m1/s1
InChI Key XKBSPAZCFAIBJL-OAHLLOKOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3R)-N,N-dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine
Synonyms Click here for help
ZINC-72453573
Database Links Click here for help
GtoPdb PubChem SID 336446952
PubChem CID 95882507
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Tocris
(R)-ZINC 3573
Cat. No. 6351