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Ligand

Name(E)-Flupenthixol
Molecular formulaC23H25F3N2OS
IUPAC name2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Molecular weight434.521
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsNCGC00015425-01
SCHEMBL414352
(trans-flupenthixol)2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol
2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
895OJP78MJ
[ Show all ]
Inchi KeyNJMYODHXAKYRHW-BLLMUTORSA-N
Inchi IDInChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
PubChem CID5281878
ChEMBLCHEMBL42055
IUPHAR968
BindingDB50026957
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 21
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2249415-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5563655-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2249335-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
224931Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
224932D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
224934D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
224937D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
224939D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
224935D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
224938D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475
554390D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
556359D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
556360D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444
556362D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444
556363D(2) dopamine receptorQ9GJU1DRD2Canis lupus familiaris (Dog)443
554389D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
556361D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
556364D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
224944Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
224936Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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