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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Melanin-concentrating hormone receptor 1
Species	Homo sapiens (Human)
Gene	MCHR1
Synonym	SLC-1 Somatostatin receptor-like protein MCHR-1 MCHR MCH1R MCH1 receptor MCH-R1 MCH-1R MCH receptor 1 GPR24 G-protein coupled receptor 24 G protein-coupled receptor 24 [ Show all ]
Disease	Obesity Obesity; Anxiety; Depression
Length	422
Amino acid sequence	MSVGAMKKGVGRAVGLGGGSGCQATEEDPLPNCGACAPGQGGRRWRLPQPAWVEGSSARLWEQATGTGWMDLEASLLPTGPNASNTSDGPDNLTSAGSPPRTGSISYINIIMPSVFGTICLLGIIGNSTVIFAVVKKSKLHWCNNVPDIFIINLSVVDLLFLLGMPFMIHQLMGNGVWHFGETMCTLITAMDANSQFTSTYILTAMAIDRYLATVHPISSTKFRKPSVATLVICLLWALSFISITPVWLYARLIPFPGGAVGCGIRLPNPDTDLYWFTLYQFFLAFALPFVVITAAYVRILQRMTSSVAPASQRSIRLRTKRVTRTAIAICLVFFVCWAPYYVLQLTQLSISRPTLTFVYLYNAAISLGYANSCLNPFVYIVLCETFRKRLVLSVKPAAQGQLRAVSNAQTADEERTESKGT
UniProt	Q99705
Protein Data Bank	N/A
GPCR-HGmod model	Q99705
3D structure model	This predicted structure model is from GPCR-EXP Q99705.
BioLiP	N/A
Therapeutic Target Database	T09572
ChEMBL	CHEMBL344
IUPHAR	280
DrugBank	BE0003478

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	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 (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 [ 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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6.8 nM	PMID19683441	BindingDB,ChEMBL
IC50	25.0 nM	PMID19683441	BindingDB,ChEMBL

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