Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	864P562 Semap AJ-49004 Tox21_113546 BCP9000014 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 S-3876 AB01566919_01 SR-05000001779 AOB5341 UNII-25TLU22Q8H 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)- 5-21-02-00409 (Beilstein Handbook Reference) SC-13777 AC1Q4JI6 SW219540-1 BCP03695 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 R-16341 A818637 Semap (TN) AK-73104 Tox21_113546_1 BDBM50026066 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]- S4151 AC-15413 SR-05000001779-1 API0003774 VZ21058 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]- SCHEMBL93939 ACT03196 TLP-607 BCP0726000159 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 R16341 AB0011815 SMR003500704 AKOS005065828 TR-012101 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)- 4CA-0984 SBI-0206898.P001 AC1L1PZ2 ST2408559 AX8009267 W-107147 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 [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
556285	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
202772	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
202771	5-hydroxytryptamine receptor 6	P31388	Htr6	Rattus norvegicus (Rat)	436
556287	5-hydroxytryptamine receptor 7	P32305	Htr7	Rattus norvegicus (Rat)	448
202770	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
556286	D(2) dopamine receptor	P20288	DRD2	Bos taurus (Bovine)	444
202773	D(4) dopamine receptor	P30729	Drd4	Rattus norvegicus (Rat)	387

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417