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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	CHEMBL559445
Molecular formula	C23H27N3
IUPAC name	4-[4-[(3aR,6aR)-5-butyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]benzonitrile
Molecular weight	345.49
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.9
Synonyms	BDBM50294093 SCHEMBL3060601 4''-[(3aR,6aR)-5-Butylhexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl]-1,1''-biphenyl-4-carbonitrile
Inchi Key	AVRQZFFARCUFNZ-GGAORHGYSA-N
Inchi ID	InChI=1S/C23H27N3/c1-2-3-13-25-16-21-12-14-26(23(21)17-25)22-10-8-20(9-11-22)19-6-4-18(15-24)5-7-19/h4-11,21,23H,2-3,12-14,16-17H2,1H3/t21-,23+/m1/s1
PubChem CID	24743990
ChEMBL	CHEMBL559445
IUPHAR	N/A
BindingDB	50294093
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
15582	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
15583	Histamine H3 receptor	Q9QYN8	Hrh3	Rattus norvegicus (Rat)	445

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