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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

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	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 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) Prestwick0_000320 Prolixin (TN) SCHEMBL19221 SPBio_001277 SR-01000003048-5 Vespazine NCGC00015436-01 NCGC00015436-09 Pacinol 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 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 Permitil (TN) Prestwick3_000320 Prolixine (Salt/Mix) Sevinol Spectrum3_001420 Tox21_110146 NCGC00015436-04 NCGC00024429-04 1451-EP2272537A2 DTXSID2023068 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine flufenazine 4-(3-(-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol 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) Phthorphenazine Prolixin S94 Siqualine Spectrum_000289 Triflumethazine NCGC00015436-07 NSC62323 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)<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]- Prestwick1_000320 Prolixin Concentrate Sediten (TN) SPBio_002539 STK050763 Yespazine NCGC00015436-02 NCGC00015436-11 Permitil 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 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 Permitil Concentrate Probes1_000254 S 94 Sevinol (TN) Spectrum4_000828 Tox21_110146_1 NCGC00015436-05 NINDS_000511 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 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 PLDUPXSUYLZYBN-UHFFFAOYSA-N Prolixin (Salt/Mix) SBI-0050538.P003 Siqualon SQ 4918 UNII-S79426A41Z MRF-0000359 NCGC00015436-08 Omca (TN) 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 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]- Prestwick2_000320 Prolixine Selecten (TN) Spectrum2_001199 Tensofin (Salt/Mix) ZINC19203912 NCGC00015436-03 NCGC00024429-03 Permitil (Salt/Mix) 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] 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) Phenothiazine, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-(trifluoromethyl)- Probes2_000295 S79426A41Z Sinqualone (TN) Spectrum5_001536 Trancin (TN) NCGC00015436-06 NSC 62323 [ 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
Ki	145.7 nM	PMID12629531	BindingDB
Ki	2829.0 nM	PMID9686407	BindingDB

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