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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL100497
Molecular formula	C28H31N5O
IUPAC name	2-[4-[3-(benzylamino)-3-phenylpropanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight	453.59
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	[4-[3-Phenyl-1-oxo-3-(benzylamino)propyl]piperazin-1-yl](2-methyl-3-pyridyl)acetonitrile BDBM50046012 SCHEMBL9575034 [4-(3-Benzylamino-3-phenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
Inchi Key	JGAHZDPLEUWCNS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H31N5O/c1-22-25(13-8-14-30-22)27(20-29)32-15-17-33(18-16-32)28(34)19-26(24-11-6-3-7-12-24)31-21-23-9-4-2-5-10-23/h2-14,26-27,31H,15-19,21H2,1H3
PubChem CID	10389222
ChEMBL	CHEMBL100497
IUPHAR	N/A
BindingDB	50046012
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
150073	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
150074	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341
150075	Platelet-activating factor receptor	Q62035	Ptafr	Mus musculus (Mouse)	341

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