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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	CHEMBL1082296
Molecular formula	C25H31FN4O
IUPAC name	2-[4-[3-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]propoxy]-2-methylphenyl]-5-fluoro-4-methyl-1H-benzimidazole
Molecular weight	422.548
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.5
Synonyms	BDBM50319285 5-fluoro-4-methyl-2-(2-methyl-4-(3-((4aR,7aR)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)propoxy)phenyl)-1H-benzo[d]imidazole
Inchi Key	VORZMLWIEYTBEN-JPYJTQIMSA-N
Inchi ID	InChI=1S/C25H31FN4O/c1-16-13-19(31-12-4-11-30-14-18-5-3-10-27-23(18)15-30)6-7-20(16)25-28-22-9-8-21(26)17(2)24(22)29-25/h6-9,13,18,23,27H,3-5,10-12,14-15H2,1-2H3,(H,28,29)/t18-,23+/m1/s1
PubChem CID	46890592
ChEMBL	CHEMBL1082296
IUPHAR	N/A
BindingDB	50319285
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
360402	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
360400	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
360401	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
360398	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390
360399	Histamine H4 receptor	Q91ZY2	Hrh4	Mus musculus (Mouse)	391

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