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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	CHEMBL86936
Molecular formula	C32H37N5O2
IUPAC name	6-[2-[3-methyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenoxy]-1-(4-methylpiperazin-1-yl)hexan-1-one
Molecular weight	523.681
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.1
Synonyms	6-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-1-(4-methyl-piperazin-1-yl)-hexan-1-one BDBM50114040
Inchi Key	BQNUUTOEFJBHRB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H37N5O2/c1-25-33-34-32(28-18-16-27(17-19-28)26-11-5-3-6-12-26)37(25)29-13-8-9-14-30(29)39-24-10-4-7-15-31(38)36-22-20-35(2)21-23-36/h3,5-6,8-9,11-14,16-19H,4,7,10,15,20-24H2,1-2H3
PubChem CID	10907482
ChEMBL	CHEMBL86936
IUPHAR	N/A
BindingDB	50114040
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
30471	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
30472	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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