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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	MLS000093986
Molecular formula	C23H26N4O5
IUPAC name	N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)propanamide
Molecular weight	438.484
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	AKOS001854181 MCULE-1351452343 SMR000029600 MolPort-007-681-027 AB00419814-09 HMS1630L22 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethyl-4-oxofuro[3,4]pyrrolo[3,5-c][1,2,4]triazin-3-yl)propanamide AKOS021619868 SR-01000138173 CHEMBL1461130 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethyl-4-oxidanylidene-furo[3,4]pyrrolo[3,5-c][1,2,4]triazin-3-yl)propanamide AC1MML65 HMS2177O09 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)propanamide BDBM38119 MLS001367502 SR-01000138173-1 2-(1-ethyl-4-keto-furo[3,4]pyrrolo[3,5-c][1,2,4]triazin-3-yl)-N-homoveratryl-propionamide cid_3240468 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)propanamide [ Show all ]
Inchi Key	AAHQEVWTRLMJPC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N4O5/c1-5-21-25-27(23(29)17-13-19-16(26(17)21)9-11-32-19)14(2)22(28)24-10-8-15-6-7-18(30-3)20(12-15)31-4/h6-7,9,11-14H,5,8,10H2,1-4H3,(H,24,28)
PubChem CID	3240468
ChEMBL	CHEMBL1461130
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
216	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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