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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	CHEMBL100190
Molecular formula	C25H29N5O2
IUPAC name	2-(2-methylpyridin-3-yl)-2-[4-[3-(2-oxopyrrolidin-1-yl)-3-phenylpropanoyl]piperazin-1-yl]acetonitrile
Molecular weight	431.54
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.4
Synonyms	BDBM50045967 SCHEMBL9574990 (2-Methyl-pyridin-3-yl)-{4-[3-(2-oxo-pyrrolidin-1-yl)-3-phenyl-propionyl]-piperazin-1-yl}-acetonitrile [4-[3-Phenyl-1-oxo-3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl](2-methyl-3-pyridyl)acetonitrile
Inchi Key	DJFOZVOJJFSISR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29N5O2/c1-19-21(9-5-11-27-19)23(18-26)28-13-15-29(16-14-28)25(32)17-22(20-7-3-2-4-8-20)30-12-6-10-24(30)31/h2-5,7-9,11,22-23H,6,10,12-17H2,1H3
PubChem CID	10365462
ChEMBL	CHEMBL100190
IUPHAR	N/A
BindingDB	50045967
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
61410	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
61411	Platelet-activating factor receptor	Q62035	Ptafr	Mus musculus (Mouse)	341
61412	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341

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