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Ligand

NameCHEMBL559013
Molecular formulaC21H21N5O
IUPAC name2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile
Molecular weight359.433
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.7
SynonymsSCHEMBL9852863
CHEMBL1197021
BDBM50003557
2-[4-[(1H-Indol-3-yl)acetyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile
[4-(2-1H-Indol-3-yl-acetyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile; trihydrochloride; hydrate
Inchi KeyAHYCZKBAGLLOFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N5O/c22-13-20(16-4-3-7-23-14-16)25-8-10-26(11-9-25)21(27)12-17-15-24-19-6-2-1-5-18(17)19/h1-7,14-15,20,24H,8-12H2
PubChem CID10428543
ChEMBLN/A
IUPHARN/A
BindingDB50003557
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
519724Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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