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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	CHEMBL3416868
Molecular formula	C28H31ClN4O3
IUPAC name	2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
Molecular weight	507.031
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.8
Synonyms	QYTYCLFCXDNBPJ-UHFFFAOYSA-N 1'-({6-Chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-3-yl}carbonyl)-3H-spiro[2-benzofuran-1,4'-piperidine] SCHEMBL4358542 BDBM50077452
Inchi Key	QYTYCLFCXDNBPJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H31ClN4O3/c1-30-12-14-31(15-13-30)26(34)18-33-17-23(22-7-6-21(29)16-25(22)33)27(35)32-10-8-28(9-11-32)24-5-3-2-4-20(24)19-36-28/h2-7,16-17H,8-15,18-19H2,1H3
PubChem CID	59657616
ChEMBL	CHEMBL3416868
IUPHAR	N/A
BindingDB	50077452
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
453157	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
453158	Vasopressin V1a receptor	Q62463	Avpr1a	Mus musculus (Mouse)	423

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