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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	N-{4,5-dimethyl-3-[(4-methylpiperazin-1-yl)(pyridin-3-yl)methyl]thiophen-2-yl}furan-2-carboxamide
Molecular formula	C22H26N4O2S
IUPAC name	N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
Molecular weight	410.536
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.2
Synonyms	618404-76-5 HMS2369C14 SMR000155472 AKOS000808931 MolPort-000-226-595 ST50073019 CHEMBL1372883 AB00491311-08 MCULE-8626137722 SR-01000083761 AKOS016074487 N-[4,5-dimethyl-3-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide STL487519 EU-0080764 N-{4,5-dimethyl-3-[(4-methylpiperazinyl)-3-pyridylmethyl](2-thienyl)}-2-furylc arboxamide AC1MSN07 MLS000536196 SR-01000083761-1 N-{4,5-dimethyl-3-[(4-methylpiperazin-1-yl)(pyridin-3-yl)methyl]thien-2-yl}-2-furamide Z55867368 [ Show all ]
Inchi Key	AFPNZEVXFINEEQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N4O2S/c1-15-16(2)29-22(24-21(27)18-7-5-13-28-18)19(15)20(17-6-4-8-23-14-17)26-11-9-25(3)10-12-26/h4-8,13-14,20H,9-12H2,1-3H3,(H,24,27)
PubChem CID	3561847
ChEMBL	CHEMBL1372883
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
4377	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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