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GLASS

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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	CHEMBL3578244
Molecular formula	C22H18F3N3O2S
IUPAC name	1-(2-cyclopropyl-3-methylindazol-5-yl)-4-[[5-(trifluoromethyl)thiophen-3-yl]methoxy]pyridin-2-one
Molecular weight	445.46
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.2
Synonyms	1-(2-cyclopropyl-3-methyl-2H-indazol-5-yl)-4-{[5-(trifluoromethyl)thiophen-3-yl]methoxy}pyridin-2(1H)-one SCHEMBL16369646 BDBM50163509 FAALBEAEXAFDGY-UHFFFAOYSA-N 1-(2-Cyclopropyl-3-methyl-2H-indazole-5-yl)-4-[[5-(trifluoromethyl)-3-thienyl]methoxy]pyridine-2(1H)-one J3.550.557A [ Show all ]
Inchi Key	FAALBEAEXAFDGY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18F3N3O2S/c1-13-18-9-16(4-5-19(18)26-28(13)15-2-3-15)27-7-6-17(10-21(27)29)30-11-14-8-20(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
PubChem CID	90469437
ChEMBL	CHEMBL3578244
IUPHAR	N/A
BindingDB	50163509
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	38.0 nM	PMID27117261	BindingDB,ChEMBL
IC50	79.0 nM	PMID27117261	BindingDB,ChEMBL
Inhibition	55.0 %	PMID25941549	ChEMBL
Inhibition	77.0 %	PMID25941549	ChEMBL

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