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BDBM50010044 2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide::2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide (Fenanserin)::2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide(Fananserin)::CHEMBL83894::ChEMBL_131689::FANANSERIN

SMILES: Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1

InChI Key: InChIKey=VGIGHGMPMUCLIQ-UHFFFAOYSA-N

Data: 10 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50010044   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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PubMed
0.0600n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes incubated for 15 mins by liquid scintillation spectrometry


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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0.260n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against 5-hydroxytryptamine 2 receptor (in vivo)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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25n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against histamine H1 receptor (in vivo)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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38n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against Alpha-1 adrenergic receptor (in vivo)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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70n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes preincubated for 5 mins followed by addition of [3H]-8-OHDPAT and mea...


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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70n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against 5-hydroxytryptamine 1A receptor (in vivo)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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200n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide to HEK cells stably expressing hERG voltage-gated IKr potassium channel Kv11.1


J Med Chem 45: 492-503 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0P27
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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200n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


J Med Chem 52: 4266-76 (2009)


Article DOI: 10.1021/jm900002x
BindingDB Entry DOI: 10.7270/Q2MK6DT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Cracow University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatal membranes incubated for 40 mins


Bioorg Med Chem 27: 3396-3407 (2019)


Article DOI: 10.1016/j.bmc.2019.06.028
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding constant against dopamine receptor D2 (in vivo)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
The concentration required to inhibit [3H]spiperone binding to dopamine receptor D2 in rat brain membranes (in vitro)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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n/an/a 0.5n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50010044
PNG
(2-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2
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n/an/a 103n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
The concentration required to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat brain membranes was measured (in vitro)


J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair