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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	Pirenperone
Molecular formula	C23H24FN3O2
IUPAC name	3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
Molecular weight	393.462
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.6
Synonyms	R 50656 EU-0101007 SMR000058507 HMS2234F07 Spectrum5_001827 KBio2_004632 Tox21_501007 LP01007 NCGC00015784-01 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl-4H-pyrido-[1,2-a] pyrimidin-4-one NCGC00015784-09 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2-methyl- NCGC00021326-06 AKOS030530791 Pharmakon1600-01504188 CAS- 75444-65-4 Pirenperonum D00PEU DSSTox_CID_25182 R-47465 HMS1569L03 SpecPlus_000663 HMS3393H22 SR-01000002998-2 KBioGR_001180 Y9FMC4513X MLS000069365 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one NCGC00015784-04 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[2,1-b]pyrimidin-4-one NCGC00015784-12 75444-65-4 NCGC00261692-01 BRD-K25224017-001-05-2 CHEBI:92444 Prestwick1_000531 Prestwick_858 DTXSID9045182 SBI-0050980.P003 HMS2093C08 Spectrum3_001655 KBio1_001703 Tox21_110220 Lopac-P-126 MolPort-003-666-539 3-[2-[4-(4-Fluorobenzoyl)-1- piperidinyl]-ethyl-2-methyl-4H- pyrido[1,2-a]pyrimidin-4-one NCGC00015784-07 3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-2-methyl-pyrido[1,2-a]pyrimidin-4-one(Pirenperone) NCGC00021326-04 AC1Q2F2M Opera_ID_1876 BSPBio_003409 Pirenperone [USAN:INN:BAN] CPD000058507 ZINC538194 D05495 R-47,465 FT-0732988 SPBio_001899 HMS3263I15 Spectrum_001584 KBio2_007200 UNII-Y9FMC4513X LS-177186 NCGC00015784-02 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one NCGC00015784-10 4H-Pyrido[1,2-a]pyrimidin-4-one,3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl- NCGC00178084-01 BDBM50024205 Pirenperona CAS-75444-65-4 Pirenperonum [INN-Latin] DSSTox_GSID_45182 R-50656 HMS1922F15 SPECTRUM1504188 HMS3713L03 SR-01000002998-5 KBioSS_002064 MLS001148188 3-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one NCGC00015784-05 3-[2-[4-(p-fluorobenzoyl)piperidino]ethyl]-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one NCGC00015784-14 AB00053292_16 NSC-760095 BRD-K25224017-001-15-1 Pirenperone (USAN/INN) Prestwick2_000531 R 47456 EINECS 278-213-5 SCHEMBL467209 HMS2096L03 Spectrum4_000620 KBio2_002064 Tox21_110220_1 Lopac0_001007 NC00316 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]-ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one NCGC00015784-08 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methylpyrido[1,2-a]pyrimidin-4-one NCGC00021326-05 AC1Q4NIA P-126 C23H24FN3O2 Pirenperone, >97%, solid CTK5E1570 DivK1c_006759 R-47456 GTPL283 SPBio_002462 HMS3370M02 SR-01000002998 KBio3_002629 VU0239628-6 MFCD00069332 NCGC00015784-03 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one NCGC00015784-11 NCGC00178084-02 BPBio1_000597 Pirenperona [INN-Spanish] CCG-39087 Prestwick0_000531 Prestwick3_000531 DSSTox_RID_80730 SAM001246893 HMS2051H22 Spectrum2_001680 HXCNRYXBZNHDNE-UHFFFAOYSA-N SR-01000002998-7 L000956 MLS001424212 3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one NCGC00015784-06 3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-2-methyl-pyrido[1,2-a]pyrimidin-4-one NCGC00021326-03 AC1L1J38 NSC760095 BSPBio_000541 Pirenperone [USAN:BAN:INN] CHEMBL18331 [ Show all ]
Inchi Key	HXCNRYXBZNHDNE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
PubChem CID	4847
ChEMBL	CHEMBL18331
IUPHAR	283
BindingDB	50024205
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	2511.89 nM	PMID19754201	ChEMBL
Ki	485.11 nM	Hoyer et al., PMID1986	PDSP
Ki	636.32 nM	Hoyer et al., PMID1986	PDSP

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