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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	CHEMBL161279
Molecular formula	C30H31FN6O4
IUPAC name	N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide
Molecular weight	558.614
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50139322 SCHEMBL7251693 1,6-Dihydro-pyridine-3-carboxylic acid [(R)-2-(4-{3-[3-fluoro-4-(5-phenyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-amide
Inchi Key	AZSDBZCRHARECA-OAQYLSRUSA-N
Inchi ID	InChI=1S/C30H31FN6O4/c1-21(33-28(38)23-9-5-12-32-20-23)30(39)37-16-14-36(15-17-37)13-6-18-40-24-10-11-25(26(31)19-24)27-34-29(41-35-27)22-7-3-2-4-8-22/h2-5,7-12,19-21H,6,13-18H2,1H3,(H,33,38)/t21-/m1/s1
PubChem CID	44373847
ChEMBL	CHEMBL161279
IUPHAR	N/A
BindingDB	50139322
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
18452	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
18453	Histamine H3 receptor	Q9QYN8	Hrh3	Rattus norvegicus (Rat)	445

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