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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

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	NCGC00015436-02 NCGC00015436-11 Permitil Prestwick1_000320 Prolixin Concentrate Sediten (TN) SPBio_002539 STK050763 Yespazine 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 Fluphenazin 47646-09-3 HMS2089C16 AC1L1FSB KBio2_003337 AX8130619 NCGC00015436-05 NINDS_000511 Permitil Concentrate Probes1_000254 S 94 Sevinol (TN) Spectrum4_000828 Tox21_110146_1 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 Fluphenazine [INN:BAN] A 4077 Hydrochloride, Fluphenazine Anatensol KBio2_007522 NCGC00015436-08 Omca (TN) PLDUPXSUYLZYBN-UHFFFAOYSA-N Prolixin (Salt/Mix) SBI-0050538.P003 Siqualon SQ 4918 UNII-S79426A41Z MRF-0000359 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 4-[3-(2-Trifluoromethyl-10-phenothiazyl)-propyl]-1-piperazineethanol Ftorphenazine AB00053587-18 KBio2_000769 API0006719 NCGC00015436-03 NCGC00024429-03 Permitil (Salt/Mix) Prestwick2_000320 Prolixine Selecten (TN) Spectrum2_001199 Tensofin (Salt/Mix) ZINC19203912 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] 69-23-8 HMS655L02 AJ-72569 KBio2_004954 NCGC00015436-06 NSC 62323 Phenothiazine, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-(trifluoromethyl)- Probes2_000295 S79426A41Z Sinqualone (TN) Spectrum5_001536 Trancin (TN) 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 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-1-Piperazineethanol Fluphenazinum A836405 IDI1_000511 Anatensol (Salt/Mix) KBio3_002320 NCGC00015436-09 Pacinol Prestwick0_000320 Prolixin (TN) SCHEMBL19221 SPBio_001277 SR-01000003048-5 Vespazine NCGC00015436-01 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 4-[3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazineethanol GTPL204 AB00053587_19 KBio2_002386 Apo-Fluphenazine NCGC00015436-04 NCGC00024429-04 Permitil (TN) Prestwick3_000320 Prolixine (Salt/Mix) Sevinol Spectrum3_001420 Tox21_110146 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 Fluphenazine (INN) HSDB 3334 AKOS001659031 KBio2_005905 NCGC00015436-07 NSC62323 Phthorphenazine Prolixin S94 Siqualine Spectrum_000289 Triflumethazine 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)<4-(3-(2-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol Fluphenazinum [INN-Latin] AB00053587 KBio1_000511 Anatensol (TN) [ 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	6.5 nM	PMID12629531	BindingDB
Ki	9.0 nM	PMID6149136	BindingDB
Ki	9.09 nM	PMID2904784	BindingDB

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