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GLASS

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

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

Ligand

Name	CGS 12066B
Molecular formula	C17H17F3N4
IUPAC name	4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Molecular weight	334.346
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.0
Synonyms	CAS_109028-10-6 CGS-12066B FT-0708356 NCGC00015180-02 Pyrrolo(1,2-a)quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)- 7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt Lopac-C-106 NCGC00015180-05 Tocris-0638 109028-10-6 AC1L1E8Q BPBio1_001091 CGS-12066A D0Q1ER LXFHSCDLMBZYKY-UHFFFAOYSA-N NCGC00024701-03 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline CCG-204427 CGS12066 GTPL109 NCGC00015180-03 Pyrrolo[1,2-a]quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)- 7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo[1,2-a]quinoxaline CGS 12066B-parent CHEMBL27403 Lopac0_000332 NCGC00024701-01 UNII-5TB4SXQ7HG 4-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline # BDBM81497 BRD-K18909381-001-01-4 CGS-12066A maleate salt DTXSID3043730 NCGC00015180-01 NSC_123945 5TB4SXQ7HG Cgs 12066 CHEBI:64055 L000723 NCGC00015180-04 SCHEMBL1660466 109028-09-3 Biomol-NT_000089 CGS-12066 CTK6I3092 LS-187235 NCGC00024701-02 ZINC2516018 4-(4-Methyl-piperazin-1-yl)-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline [ Show all ]
Inchi Key	LXFHSCDLMBZYKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
PubChem CID	2689
ChEMBL	CHEMBL27403
IUPHAR	109
BindingDB	81497
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	<10000.0 nM	PMID2374139	BindingDB,ChEMBL
IC50	97723.7 nM	PMID8642566, PMID9191957	BindingDB,ChEMBL
Ki	2511.89 nM	PMID15322733	IUPHAR
Ki	2511.89 nM	PMID15322733	BindingDB

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