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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	CHEMBL585664
Molecular formula	C27H28F2N4O3
IUPAC name	1'-[[6-[(Z)-C-(3,4-difluorophenyl)-N-ethoxycarbonimidoyl]pyridin-3-yl]methyl]-5-methylspiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]-6-one
Molecular weight	494.543
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	2.3
Synonyms	(Z)-1''-((6-((3,4-difluorophenyl)(ethoxyimino)methyl)pyridin-3-yl)methyl)-5-methyl-3H-spiro[furo[3,4-c]pyridine-1,4''-piperidin]-6(5H)-one SCHEMBL4066961 BDBM50301708 compound 4b [PMID: 19683441] 1'-({6-[(1E)-(3,4-difluorophenyl)(ethoxyimino)methyl]pyridin-3-yl}methyl)-5-methyl-5,6-dihydro-3H-spiro[furo[3,4-c]pyridine-1,4'-piperidine]-6-one SCHEMBL4066972 (alphaE)-alpha-(3,4-Difluorophenyl)-N-ethoxy-5-[5'-methyl-6'-oxo-5',6'-dihydrospiro[piperidine-4,1'(3'H)-furo[3,4-c]pyridine]-1-ylmethyl]pyridine-2-methaneimine GTPL7755 [ Show all ]
Inchi Key	FPPIDMVDDSIXTQ-ZXPTYKNPSA-N
Inchi ID	InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
PubChem CID	45487653
ChEMBL	CHEMBL585664
IUPHAR	N/A
BindingDB	50301708
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
84215	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
84216	Melanin-concentrating hormone receptor 1	P97639	Mchr1	Rattus norvegicus (Rat)	353
84218	Melanin-concentrating hormone receptor 1	Q8JZL2	Mchr1	Mus musculus (Mouse)	353
84217	Melanin-concentrating hormone receptor 2	Q969V1	MCHR2	Homo sapiens (Human)	340

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