Detailed information for compound 169271

Basic information

Technical information
  • TDR Targets ID: 169271
  • Name: 1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperid in-1-yl]propoxy]-2-methoxyphenyl]ethanone
  • MW: 493.585 | Formula: C30H33F2NO3
  • H donors: 0 H acceptors: 1 LogP: 6.3 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OCCCN2CCC(CC2)C(c2ccc(cc2)F)c2ccc(cc2)F)ccc1C(=O)C
  • InChi: 1S/C30H33F2NO3/c1-21(34)28-13-12-27(20-29(28)35-2)36-19-3-16-33-17-14-24(15-18-33)30(22-4-8-25(31)9-5-22)23-6-10-26(32)11-7-23/h4-13,20,24,30H,3,14-19H2,1-2H3
  • InChiKey: FKRCUXNEGDSKAA-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[4-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperidyl]propoxy]-2-methoxy-phenyl]ethanone
  • 1-[4-[3-[4-[bis(4-fluorophenyl)methyl]-1-piperidinyl]propoxy]-2-methoxyphenyl]ethanone
  • 1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-2-methoxy-phenyl]ethanone
  • 1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidino]propoxy]-2-methoxy-phenyl]ethanone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0345 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.006 0.085 0.085
Echinococcus multilocularis tumor protein p63 0.0315 0.6626 0.6626
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0037 0.0345 0.0345
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0159 0.3093 0.3093
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0053 0.0053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Echinococcus granulosus calpain 5 0.0025 0.0053 0.0053
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0345 0.0345
Onchocerca volvulus 0.004 0.0414 0.4865
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.006 0.085 0.085
Trypanosoma cruzi cysteine protease, putative 0.0037 0.0345 0.0345
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Brugia malayi Cathepsin L-like precursor 0.006 0.085 0.085
Brugia malayi cathepsin L-like precursor 0.0045 0.0506 0.0506
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0159 0.3093 0.3093
Onchocerca volvulus 0.0046 0.0542 0.637
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.085 0.2749
Onchocerca volvulus 0.006 0.085 1
Loa Loa (eye worm) calpain family protein 1 0.0048 0.058 0.058
Brugia malayi calpain 7 0.0025 0.0053 0.0053
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.085 0.2749
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Brugia malayi Cathepsin L-like precursor 0.006 0.085 0.085
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0159 0.3093 1
Trypanosoma cruzi cysteine peptidase, putative 0.0037 0.0345 0.0345
Brugia malayi MH2 domain containing protein 0.0111 0.2017 0.2017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Echinococcus granulosus cathepsin L cysteine proteinase 0.006 0.085 0.085
Loa Loa (eye worm) hypothetical protein 0.004 0.0414 0.0414
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0025 0.0053 0.0053
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0053 0.0053
Echinococcus granulosus tumor protein p63 0.0315 0.6626 0.6626
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.006 0.085 0.2749
Leishmania major cathepsin L-like protease 0.006 0.085 0.2623
Loa Loa (eye worm) transcription factor SMAD2 0.0111 0.2017 0.2017
Trypanosoma cruzi cruzipain precursor, putative 0.006 0.085 0.085
Echinococcus multilocularis cysteine protease 0.006 0.085 0.085
Onchocerca volvulus Cathepsin F homolog 0.006 0.085 1
Brugia malayi Cathepsin L-like precursor 0.006 0.085 0.085
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0345 0.1114
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.085 0.2749
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Leishmania major cathepsin L-like protease 0.006 0.085 0.2623
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Onchocerca volvulus 0.006 0.085 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0053 0.0053
Toxoplasma gondii cathepsin CPL 0.006 0.085 0.2749
Loa Loa (eye worm) cysteine protease 0.006 0.085 0.085
Echinococcus multilocularis calpain 0.0025 0.0053 0.0053
Loa Loa (eye worm) calpain family protein 1 0.0065 0.0968 0.0968
Loa Loa (eye worm) hypothetical protein 0.0065 0.0968 0.0968
Echinococcus granulosus cathepsin b 0.0464 1 1
Brugia malayi Cathepsin L-like precursor 0.0045 0.0506 0.0506
Loa Loa (eye worm) hypothetical protein 0.0045 0.0506 0.0506
Onchocerca volvulus 0.006 0.085 1
Echinococcus multilocularis calpain family protein 1, d 0.0048 0.058 0.058
Brugia malayi Cathepsin L-like precursor 0.0045 0.0506 0.0506
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0464 1 1
Echinococcus granulosus cathepsin L 0.0037 0.0345 0.0345
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Loa Loa (eye worm) hypothetical protein 0.0045 0.0506 0.0506
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Brugia malayi calpain family protein 1 0.0065 0.0968 0.0968
Trypanosoma brucei cysteine peptidase C (CPC) 0.0159 0.3093 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0037 0.0345 0.096
Echinococcus granulosus cathepsin l1 0.006 0.085 0.085
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0345 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0464 1 1
Plasmodium vivax vivapain-2 0.006 0.085 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0037 0.0345 0.0345
Plasmodium vivax vivapain-3 0.0037 0.0345 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0464 1 1
Schistosoma mansoni cellular tumor antigen P53 0.0046 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0464 1 1
Plasmodium vivax vivapain-2 0.006 0.085 1
Trypanosoma cruzi cysteine proteinase, putative 0.0037 0.0345 0.0345
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Echinococcus multilocularis hypothetical protein 0.0025 0.0053 0.0053
Plasmodium falciparum cysteine proteinase falcipain 2b 0.006 0.085 1
Onchocerca volvulus 0.0045 0.0506 0.5946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Brugia malayi Cathepsin L-like precursor 0.006 0.085 0.085
Echinococcus granulosus calpain 7 C02 family 0.0025 0.0053 0.0053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Trypanosoma cruzi cysteine peptidase, putative 0.006 0.085 0.085
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0159 0.3093 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0045 0.0506 0.0506
Echinococcus granulosus cysteine protease 0.0037 0.0345 0.0345
Echinococcus multilocularis cathepsin l cysteine peptidase 0.006 0.085 0.085
Onchocerca volvulus Cathepsin L homolog 0.006 0.085 1
Schistosoma mansoni calpain C (C02 family) 0.0025 0.0053 0.0053
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0464 1 1
Brugia malayi Cathepsin L-like precursor 0.006 0.085 0.085
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.006 0.085 0.085
Schistosoma mansoni cathepsin F (C01 family) 0.0045 0.0506 0.0506
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.1035 0.1035
Schistosoma mansoni calpain-7 (C02 family) 0.0025 0.0053 0.0053
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0053 0.0053
Leishmania major cathepsin L-like protease 0.006 0.085 0.2623
Leishmania major cathepsin L-like protease 0.006 0.085 0.2623
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0065 0.0968 0.0968
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Plasmodium falciparum cysteine proteinase falcipain 2a 0.006 0.085 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0053 0.0053
Plasmodium vivax calpain, putative 0.0025 0.0053 0.062
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0068 0.1035 0.1035
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0345 0.4054
Echinococcus granulosus calpain A 0.0025 0.0053 0.0053
Echinococcus granulosus calpain A 0.0068 0.1035 0.1035
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.085 0.2749
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Entamoeba histolytica cysteine protease, putative 0.006 0.085 1
Entamoeba histolytica cysteine proteinase, putative 0.006 0.085 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0037 0.0345 0.0345
Onchocerca volvulus Cathepsin L homolog 0.006 0.085 1
Schistosoma mansoni calpain-7 (C02 family) 0.0025 0.0053 0.0053
Schistosoma mansoni cathepsin F (C01 family) 0.006 0.085 0.085
Echinococcus granulosus calpain 0.0025 0.0053 0.0053
Loa Loa (eye worm) calpain 0.0025 0.0053 0.0053
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.085 0.2749
Leishmania major cathepsin L-like protease 0.006 0.085 0.2623
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Plasmodium falciparum cysteine proteinase falcipain 1 0.0037 0.0345 0.4054
Leishmania major cysteine peptidase A (CPA) 0.006 0.085 0.2623
Echinococcus multilocularis cathepsin L cysteine protease 0.006 0.085 0.085
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Leishmania major cathepsin L-like protease 0.006 0.085 0.2623
Echinococcus multilocularis cathepsin L 0.0037 0.0345 0.0345
Leishmania major cathepsin L-like protease 0.006 0.085 0.2623
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0037 0.0345 0.0345
Entamoeba histolytica cysteine proteinase 1, putative 0.0037 0.0345 0.4054
Echinococcus multilocularis calpain 7 (C02 family) 0.0025 0.0053 0.0053
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0053 0.0053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Brugia malayi Papain family cysteine protease containing protein 0.0037 0.0345 0.0345
Giardia lamblia Cathepsin B precursor 0.0159 0.3093 1
Onchocerca volvulus 0.006 0.085 1
Schistosoma mansoni calpain (C02 family) 0.0025 0.0053 0.0053
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.006 0.085 0.085
Entamoeba histolytica cysteine proteinase, putative 0.006 0.085 1
Onchocerca volvulus 0.006 0.085 1
Echinococcus multilocularis calpain 5 0.0025 0.0053 0.0053
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0037 0.0345 0.1114
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Loa Loa (eye worm) hypothetical protein 0.0048 0.058 0.058
Onchocerca volvulus 0.006 0.085 1
Giardia lamblia Cathepsin B precursor 0.0159 0.3093 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749
Brugia malayi calpain family protein 1 0.0065 0.0968 0.0968
Trypanosoma cruzi cysteine peptidase, putative 0.006 0.085 0.085
Echinococcus multilocularis calpain A 0.0068 0.1035 0.1035
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.006 0.085 0.2749
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.085 0.2749
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0464 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.085 0.085
Entamoeba histolytica cysteine proteinase 2 0.0037 0.0345 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0506 0.1635
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.085 0.2749
Loa Loa (eye worm) MH2 domain-containing protein 0.0111 0.2017 0.2017
Echinococcus multilocularis cathepsin b 0.0464 1 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0025 0.0053 0.0053
Toxoplasma gondii cathepsin B 0.0159 0.3093 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0025 0.0053 0.0053
Schistosoma mansoni cathepsin F (C01 family) 0.006 0.085 0.085
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Plasmodium vivax vivapain-1 0.0037 0.0345 0.4054
Echinococcus multilocularis cysteine protease 0.006 0.085 0.085
Loa Loa (eye worm) hypothetical protein 0.0058 0.0801 0.0801
Brugia malayi Cathepsin L-like cysteine proteinase 0.0045 0.0506 0.0506
Loa Loa (eye worm) ctsf protein 0.006 0.085 0.085
Leishmania major cathepsin L-like protease 0.006 0.085 0.2623
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0068 0.1035 0.1035
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Plasmodium vivax unspecified product 0.0037 0.0345 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.006 0.085 0.085
Loa Loa (eye worm) cathepsin B 0.0159 0.3093 0.3093
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0045 0.0506 0.0506
Echinococcus multilocularis cathepsin b 0.0464 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0542 0.0542
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0506 0.1635
Echinococcus granulosus cathepsin b 0.0464 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0045 0.0506 0.5946
Echinococcus granulosus cathepsin l1 0.0045 0.0506 0.0506
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.085 0.2749
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0037 0.0345 0.096
Entamoeba histolytica cysteine proteinase, putative 0.0037 0.0345 0.4054
Giardia lamblia Cathepsin B precursor 0.0159 0.3093 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.006 0.085 1
Trypanosoma cruzi cysteine peptidase, putative 0.006 0.085 0.085
Loa Loa (eye worm) fibroinase 0.006 0.085 0.085
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Echinococcus multilocularis cathepsin L cysteine protease 0.006 0.085 0.085
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.006 0.085 0.2623
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0068 0.1035 0.1035
Trypanosoma cruzi cysteine proteinase, putative 0.0037 0.0345 0.0345
Entamoeba histolytica cysteine protease, putative 0.0037 0.0345 0.4054
Schistosoma mansoni Mername-AA248 (C02 family) 0.0025 0.0053 0.0053
Echinococcus granulosus cathepsin l cysteine peptidase 0.006 0.085 0.085
Echinococcus granulosus cathepsin L cysteine protease 0.0037 0.0345 0.0345
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.085 0.2749
Onchocerca volvulus 0.006 0.085 1
Brugia malayi Cathepsin L-like precursor 0.006 0.085 0.085
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.085 0.2749

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -11 % Antihypertensive activity expressed as change in mean arterial blood pressure (MABP) in spontaneously hypertensive rats (SHR), at 3-6h after 30 mg/kg oral administration ChEMBL. 1920352
Change (functional) = -5 % Antihypertensive activity expressed as change in mean arterial blood pressure (MABP) in spontaneously hypertensive rats (SHR),at 0.5-2h after 30 mg/kg oral administration ChEMBL. 1920352
pA2 (functional) = 8.5 Calcium channel-blocking activity by determined by ability to antagonize calcium-induced contractions of isolated rabbit aortic strips ChEMBL. 1920352

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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