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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	MLS001095782
Molecular formula	C22H25ClN6O3
IUPAC name	N-[(2-chlorophenyl)methyl]-3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Molecular weight	456.931
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.8
Synonyms	AB00850268-06 N-(2-chlorobenzyl)-3-[6-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide CHEMBL1539515 AKOS002031191 SMR000631418 HMS2958G20 MolPort-007-853-221 ZINC9744900 MCULE-8928863070 [ Show all ]
Inchi Key	AUNUOERGMPQPBP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25ClN6O3/c23-17-4-2-1-3-16(17)15-24-21(30)8-7-19-26-25-18-5-6-20(27-29(18)19)28-11-9-22(10-12-28)31-13-14-32-22/h1-6H,7-15H2,(H,24,30)
PubChem CID	20957177
ChEMBL	CHEMBL1539515
IUPHAR	N/A
BindingDB	N/A
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
14815	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
14814	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
14816	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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