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GLASS

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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	FLUPHENAZINE
Molecular formula	C22H26F3N3OS
IUPAC name	2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
Molecular weight	437.525
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.4
Synonyms	4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-1-Piperazineethanol Fluphenazinum A836405 IDI1_000511 Anatensol (Salt/Mix) KBio3_002320 BIDD:PXR0184 Lopac0_000555 BSPBio_003100 Moditen (Tabl or elixir) D0B7SP 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)- Decanoate (TN) 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol Elinol 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol;hydrochloride Fluorfenazine Spectrum4_000828 Tox21_110146_1 NCGC00015436-05 NINDS_000511 Permitil Concentrate Probes1_000254 S 94 Sevinol (TN) 4-[3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazineethanol GTPL204 AB00053587_19 KBio2_002386 Apo-Fluphenazine KBioGR_002386 BPBio1_001187 MCULE-7579992672 Calmansial Moditen Hcl cid_3372 1-(2-Hydroxyethyl)-4-(3-(trifluoromethyl-10-phenothiazinyl)propyl)-piperazine Dapotum (TN) 10-(3'-(4"-(beta-Hydroxyethyl)-1"-piperazinyl)-propyl)-3-trifluoromethylphenothiazine DSSTox_CID_3068 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol Flufenazin 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;hydrochloride Fluorphenazine SQ 4918 UNII-S79426A41Z MRF-0000359 NCGC00015436-08 Omca (TN) PLDUPXSUYLZYBN-UHFFFAOYSA-N Prolixin (Salt/Mix) SBI-0050538.P003 Siqualon Fluphenazine (INN) HSDB 3334 AKOS001659031 KBio2_005905 BDBM78433 L000257 BRD-K55127134-300-07-0 Modecate (TN) CCG-204645 CTK8F9822 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)- (9CI) 1451-EP2272537A2 DTXSID2023068 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine flufenazine 4-(3-(-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol Spectrum2_001199 Tensofin (Salt/Mix) ZINC19203912 NCGC00015436-03 NCGC00024429-03 Permitil (Salt/Mix) Prestwick2_000320 Prolixine Selecten (TN) 4-(3-(2-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol Fluphenazinum [INN-Latin] AB00053587 KBio1_000511 Anatensol (TN) KBio3_002865 Biomol-NT_000023 LS-112565 C07010 Moditen (TN) CHEMBL726 D0P5SA 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]- Deconoate (TN) 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol Enanthate (TN) 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol Fluorfenazine pound (3/4)<Spectrum5_001536 Trancin (TN) NCGC00015436-06 NSC 62323 Phenothiazine, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-(trifluoromethyl)- Probes2_000295 S79426A41Z Sinqualone (TN) Fluphenazin 47646-09-3 HMS2089C16 AC1L1FSB KBio2_003337 AX8130619 KBioSS_000769 BRD-K55127134-001-01-7 MFCD00242759 CAS-146-56-5 MolPort-001-727-938 cid_6602611 1-(2-Hydroxyethyl)-4-[3-(trifluoromethyl-10-phenothiazinyl)propyl]piperazine Dapotum D (TN) 10-(3'-(4''-(beta-Hydroxyethyl)-1''-piperazinyl)-propyl)-3-trifluoromethylphenothiazine DSSTox_GSID_23068 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethanol Flufenazina 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazino]ethanol;hydrochloride SR-01000003048-5 Vespazine NCGC00015436-01 NCGC00015436-09 Pacinol Prestwick0_000320 Prolixin (TN) SCHEMBL19221 SPBio_001277 Fluphenazine [INN:BAN] A 4077 Hydrochloride, Fluphenazine Anatensol KBio2_007522 BG0198 Lopac-F-4765 BSPBio_000320 Moditen CHEBI:5123 D07977 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-(9CI) DB00623 1451-EP2298776A1 EINECS 200-702-9 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol Flunanthate (TN) 4-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1-piperazineethanol Spectrum3_001420 Tox21_110146 NCGC00015436-04 NCGC00024429-04 Permitil (TN) Prestwick3_000320 Prolixine (Salt/Mix) Sevinol 4-[3-(2-Trifluoromethyl-10-phenothiazyl)-propyl]-1-piperazineethanol Ftorphenazine AB00053587-18 KBio2_000769 API0006719 KBioGR_001375 BPBio1_000352 Lyogen (TN) C22H26F3N3OS Moditen Enanthate Injection (TN) ChemDiv1_024180 0680AC Dapotum 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]- DivK1c_000511 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol # Fludecate (TN) 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol dihydrochloride Fluorophenazine Spectrum_000289 Triflumethazine NCGC00015436-07 NSC62323 Phthorphenazine Prolixin S94 Siqualine 69-23-8 HMS655L02 AJ-72569 KBio2_004954 BCP21399 KBioSS_002391 BRD-K55127134-300-05-4 MLS001076508 CAS-69-23-8 cMAP_000035 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)- Dapotum Injektion (TN) 10-(3-(2-Hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine DSSTox_RID_76862 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-pipe razinyl)propyl)phenothiazine Flufenazina [DCIT] STK050763 Yespazine NCGC00015436-02 NCGC00015436-11 Permitil Prestwick1_000320 Prolixin Concentrate Sediten (TN) SPBio_002539 [ Show all ]
Inchi Key	PLDUPXSUYLZYBN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
PubChem CID	3372
ChEMBL	CHEMBL726
IUPHAR	204
BindingDB	78433
DrugBank	DB00623
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	67.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	35.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	188.67 nM	PMID2904784	BindingDB
Ki	579.0 nM	PMID10991983	BindingDB
Ki	1386.0 nM	PMID12629531	BindingDB

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