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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	PENFLURIDOL
Molecular formula	C28H27ClF5NO
IUPAC name	1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
Molecular weight	523.972
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	7.3
Synonyms	CS-4633 DTXSID5049021 KS-00000NV3 MFCD00866714 NSC759179 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol Penfluridol, >=97% (HPLC), powder 4-Piperidinol, 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]- R-16341 A818637 Semap (TN) AK-73104 Tox21_113546_1 BDBM50026066 BRN 1558826 D02630 HMS3264L13 LS-116932 MolPort-003-666-739 1-(4,4-Bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol PDSP2_000468 1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol Penfluridolum [INN-Latin] 4-Piperidinol,1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]- S4151 AC-15413 SR-05000001779-1 API0003774 VZ21058 CHEBI:92278 DSSTox_GSID_49021 Hydroxamates MCN-JR-16341 NCGC00165865-03 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol Penfluridol [USAN:BAN:INN] 4-Piperidinol, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)- R 16,341 SCHEMBL93939 ACT03196 TLP-607 BCP0726000159 BR-73104 CTK8E9221 EINECS 248-074-5 KS-5104 Micefal P2076 1-[4,4-Bis(p-fluorophenyl)butyl]-4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-4-piperidinol PENFLURIDOL1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol 4-Piperidinol, 4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)- R16341 AB0011815 SMR003500704 AKOS005065828 TR-012101 C28H27ClF5NO D0CQ0Z HMS3652G22 mcn-jr 16341 NCGC00165865-01 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperidin-4-ol 25TLU22Q8H Pharmakon1600-01505691 4CA-0984 SBI-0206898.P001 AC1L1PZ2 ST2408559 AX8009267 W-107147 CHEMBL47050 DSSTox_RID_83212 KB-214135 MDLAAYDRRZXJIF-UHFFFAOYSA-N NSC-759179 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-piperidin-4-ol Penfluridol [USAN:INN:BAN] 4-Piperidinol, 1-(4,4-bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)- R 16341 864P562 Semap AJ-49004 Tox21_113546 BCP9000014 BRD-K15409150-001-01-7 D00JSV FT-0645031 L001145 MLS004774011 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol PDSP1_000470 1-[4,4-Bis(p-flurophenyl)butyl]-4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-4-piperidinol Penfluridolum 4-Piperidinol, 4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)- S-3876 AB01566919_01 SR-05000001779 AOB5341 UNII-25TLU22Q8H ZINC4217252 CAS-26864-56-2 DSSTox_CID_28947 HY-B1077 McN-JR-16,341 NCGC00165865-02 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3(trifluoromethyl)phenyl]-4-piperidinol Penfluridol (USAN/INN) 26864-56-2 PubChem15873 5-21-02-00409 (Beilstein Handbook Reference) SC-13777 AC1Q4JI6 SW219540-1 BCP03695 [ Show all ]
Inchi Key	MDLAAYDRRZXJIF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
PubChem CID	33630
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50026066
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2079.0 nM	PMID10991983	PDSP,BindingDB

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