Detailed information for compound 872548

Basic information

Technical information
  • TDR Targets ID: 872548
  • Name: N-[(3-fluorophenyl)methyl]-1-[6-(4-methoxyphe nyl)imidazo[1,2-d][1,3,4]thiadiazol-2-yl]pipe ridine-4-carboxamide
  • MW: 465.543 | Formula: C24H24FN5O2S
  • H donors: 1 H acceptors: 3 LogP: 4.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1cn2c(n1)sc(n2)N1CCC(CC1)C(=O)NCc1cccc(c1)F
  • InChi: 1S/C24H24FN5O2S/c1-32-20-7-5-17(6-8-20)21-15-30-23(27-21)33-24(28-30)29-11-9-18(10-12-29)22(31)26-14-16-3-2-4-19(25)13-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,26,31)
  • InChiKey: KRNHUAUKRJDYML-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(3-fluorophenyl)methyl]-1-[6-(4-methoxyphenyl)-2-imidazo[1,2-d][1,3,4]thiadiazolyl]-4-piperidinecarboxamide
  • N-(3-fluorobenzyl)-1-[6-(4-methoxyphenyl)imidazo[1,2-d][1,3,4]thiadiazol-2-yl]isonipecotamide

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
Onchocerca volvulus 0.0648 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.012 0.0599 0.0599
Giardia lamblia Hypothetical protein 0.012 0.0599 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Onchocerca volvulus 0.0648 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0648 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0277 0.3399 0.2978
Trypanosoma cruzi cysteine proteinase, putative 0.0334 0.441 0.4054
Toxoplasma gondii cathepsin CPL 0.0648 1 1
Giardia lamblia Cysteine protease 0.012 0.0599 0.5
Loa Loa (eye worm) hypothetical protein 0.0434 0.6189 0.6189
Echinococcus multilocularis cathepsin L cysteine protease 0.0648 1 1
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0648 1 1
Giardia lamblia Hypothetical protein 0.012 0.0599 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0334 0.441 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Giardia lamblia Cathepsin L precursor 0.012 0.0599 0.5
Giardia lamblia Cathepsin B precursor 0.012 0.0599 0.5
Leishmania major cathepsin L-like protease 0.0648 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0599 0.0599
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0296 0.3746 0.3746
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0648 1 1
Giardia lamblia Cathepsin L-like protease 0.012 0.0599 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0648 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0214 0.2283 0.1791
Trypanosoma cruzi cysteine peptidase, putative 0.0648 1 1
Echinococcus multilocularis cysteine protease 0.0648 1 1
Brugia malayi Cathepsin L-like precursor 0.0648 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0214 0.2283 0.2283
Giardia lamblia Cysteine protease 0.012 0.0599 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0599 0.0599
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Loa Loa (eye worm) hypothetical protein 0.0434 0.6189 0.6189
Echinococcus multilocularis cathepsin L 0.012 0.0599 0.0599
Loa Loa (eye worm) ctsf protein 0.0648 1 1
Giardia lamblia Cysteine protease 0.012 0.0599 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0599 0.0599
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Loa Loa (eye worm) hypothetical protein 0.012 0.0599 0.0599
Plasmodium falciparum cysteine proteinase falcipain 1 0.0334 0.441 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0648 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Brugia malayi Cathepsin L-like precursor 0.0214 0.2283 0.2283
Schistosoma mansoni voltage-gated potassium channel 0.0324 0.423 0.423
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0648 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0648 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.012 0.0599 0.5
Giardia lamblia Cathepsin B precursor 0.012 0.0599 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0599 0.0599
Plasmodium vivax vivapain-2 0.0648 1 1
Leishmania major cathepsin L-like protease 0.0648 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0648 1 1
Loa Loa (eye worm) cysteine protease 0.0648 1 1
Leishmania major cathepsin L-like protease 0.0648 1 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.012 0.0599 0.0599
Leishmania major cathepsin L-like protease 0.0648 1 1
Leishmania major cathepsin L-like protease 0.0648 1 1
Giardia lamblia Cathepsin B precursor 0.012 0.0599 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0434 0.6189 0.6189
Brugia malayi Cathepsin L-like precursor 0.0648 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0296 0.3746 0.3746
Schistosoma mansoni cathepsin C 0.012 0.0599 0.0599
Entamoeba histolytica cysteine protease, putative 0.0648 1 1
Brugia malayi cathepsin L-like precursor 0.0434 0.6189 0.6189
Onchocerca volvulus 0.0648 1 1
Entamoeba histolytica cysteine proteinase 2 0.0334 0.441 0.4054
Trypanosoma cruzi cysteine protease, putative 0.0334 0.441 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0599 0.0599
Brugia malayi Cathepsin L-like precursor 0.0648 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0214 0.2283 0.2283
Entamoeba histolytica cysteine proteinase 1, putative 0.0334 0.441 0.4054
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0434 0.6189 0.5946
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0599 0.0599
Onchocerca volvulus Cathepsin L homolog 0.0648 1 1
Echinococcus granulosus cathepsin L cysteine protease 0.0334 0.441 0.441
Entamoeba histolytica cysteine proteinase, putative 0.0334 0.441 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0434 0.6189 0.5946
Giardia lamblia Cathepsin B precursor 0.012 0.0599 0.5
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0599 0.0599
Brugia malayi cathepsin L-like cysteine proteinase 0.012 0.0599 0.0599
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Echinococcus multilocularis cathepsin b 0.012 0.0599 0.0599
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0648 1 1
Giardia lamblia Cathepsin B precursor 0.012 0.0599 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0277 0.3399 0.2978
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0296 0.3746 0.3746
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0334 0.441 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0648 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0434 0.6189 0.5946
Trypanosoma cruzi cysteine peptidase, putative 0.0648 1 1
Echinococcus granulosus cathepsin b 0.012 0.0599 0.0599
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0648 1 1
Giardia lamblia Cathepsin B precursor 0.012 0.0599 0.5
Plasmodium falciparum cysteine proteinase falcipain 3 0.0648 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0648 1 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.012 0.0599 0.0599
Brugia malayi Cathepsin L-like cysteine proteinase 0.0434 0.6189 0.6189
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.012 0.0599 0.0599
Onchocerca volvulus Cathepsin F homolog 0.0648 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0648 1 1
Onchocerca volvulus 0.0648 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Brugia malayi Cathepsin L-like precursor 0.0434 0.6189 0.6189
Brugia malayi Papain family cysteine protease containing protein 0.0334 0.441 0.441
Brugia malayi cathepsin Z-like cysteine proteinase 0.012 0.0599 0.0599
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Brugia malayi Papain family cysteine protease containing protein 0.012 0.0599 0.0599
Loa Loa (eye worm) hypothetical protein 0.0257 0.3049 0.3049
Loa Loa (eye worm) papain family cysteine protease containing protein 0.012 0.0599 0.0599
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Leishmania major cathepsin L-like protease 0.0648 1 1
Onchocerca volvulus 0.0434 0.6189 0.5946
Loa Loa (eye worm) hypothetical protein 0.0434 0.6189 0.6189
Loa Loa (eye worm) hypothetical protein 0.012 0.0599 0.0599
Loa Loa (eye worm) hypothetical protein 0.012 0.0599 0.0599
Loa Loa (eye worm) fibroinase 0.0648 1 1
Brugia malayi cathepsin L precursor 0.012 0.0599 0.0599
Loa Loa (eye worm) hypothetical protein 0.0214 0.2283 0.2283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0599 0.0599
Brugia malayi Papain family cysteine protease containing protein 0.0334 0.441 0.441
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Plasmodium vivax vivapain-3 0.0334 0.441 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0334 0.441 0.441
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Onchocerca volvulus 0.0648 1 1
Onchocerca volvulus 0.0648 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0648 1 1
Leishmania major cathepsin L-like protease 0.0648 1 1
Plasmodium vivax vivapain-1 0.0334 0.441 0.4054
Giardia lamblia Cathepsin L-like protease 0.012 0.0599 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0648 1 1
Giardia lamblia Cathepsin L precursor 0.012 0.0599 0.5
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.012 0.0599 0.0599
Entamoeba histolytica cysteine proteinase, putative 0.0334 0.441 0.4054
Giardia lamblia Cathepsin B precursor 0.012 0.0599 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0648 1 1
Plasmodium vivax vivapain-2 0.0648 1 1
Plasmodium vivax unspecified product 0.0214 0.2283 0.1791
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0648 1 1
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.012 0.0599 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0334 0.441 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Loa Loa (eye worm) hypothetical protein 0.0648 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0648 1 1
Brugia malayi cathepsin B-like cysteine proteinase 0.012 0.0599 0.0599
Brugia malayi Papain family cysteine protease containing protein 0.012 0.0599 0.0599
Schistosoma mansoni voltage-gated potassium channel 0.0324 0.423 0.423
Schistosoma mansoni cathepsin s 0.0214 0.2283 0.2283
Trypanosoma cruzi cruzipain precursor, putative 0.0214 0.2283 0.1791
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0334 0.441 0.4054
Echinococcus multilocularis cysteine protease 0.0648 1 1
Echinococcus granulosus cathepsin l1 0.0434 0.6189 0.6189
Leishmania major cysteine peptidase A (CPA) 0.0648 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.012 0.0599 0.5
Leishmania major cathepsin L-like protease 0.0648 1 1
Giardia lamblia Cathepsin B precursor 0.012 0.0599 0.5
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.012 0.0599 0.0599
Onchocerca volvulus 0.0648 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0599 0.0599
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Echinococcus multilocularis cathepsin b 0.012 0.0599 0.0599
Echinococcus multilocularis cathepsin L cysteine protease 0.0648 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0296 0.3746 0.3746
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0648 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0648 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.012 0.0599 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0599 0.0599
Brugia malayi Cathepsin L-like precursor 0.0434 0.6189 0.6189
Loa Loa (eye worm) hypothetical protein 0.0214 0.2283 0.2283
Giardia lamblia Cathepsin L precursor 0.012 0.0599 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Brugia malayi Cathepsin L-like precursor 0.0648 1 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.012 0.0599 0.0599
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0214 0.2283 0.2283
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0648 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0648 1 1
Giardia lamblia Cathepsin L precursor 0.012 0.0599 0.5
Trypanosoma cruzi cysteine proteinase, putative 0.0334 0.441 0.4054
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Brugia malayi Cathepsin L-like precursor 0.0648 1 1
Giardia lamblia Encystation-specific protease 0.012 0.0599 0.5
Echinococcus multilocularis cathepsin L 0.0334 0.441 0.441
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Echinococcus granulosus cysteine protease 0.0334 0.441 0.441
Entamoeba histolytica cysteine proteinase, putative 0.0334 0.441 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.012 0.0599 0.0599
Schistosoma mansoni cathepsin S (C01 family) 0.012 0.0599 0.0599
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0334 0.441 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0648 1 1
Giardia lamblia Cathepsin L precursor 0.012 0.0599 0.5
Schistosoma mansoni cathepsin B (C01 family) 0.012 0.0599 0.0599
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0648 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0599 0.0599
Brugia malayi cahepsin L-like non-peptiedase homolog 0.012 0.0599 0.0599
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0648 1 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.2283 0.2283
Plasmodium vivax unspecified product 0.0334 0.441 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0648 1 1
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.012 0.0599 0.0599
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0334 0.441 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Onchocerca volvulus Cathepsin L homolog 0.0648 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Giardia lamblia Cathepsin L precursor 0.012 0.0599 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0334 0.441 0.441
Echinococcus granulosus cathepsin L 0.0334 0.441 0.441
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0334 0.441 0.441
Entamoeba histolytica cysteine proteinase, putative 0.0334 0.441 0.4054
Loa Loa (eye worm) hypothetical protein 0.012 0.0599 0.0599
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Giardia lamblia Cysteine protease 0.012 0.0599 0.5
Echinococcus granulosus cathepsin L 0.012 0.0599 0.0599
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Loa Loa (eye worm) cathepsin B 0.012 0.0599 0.0599
Entamoeba histolytica cysteine proteinase, putative 0.0648 1 1
Entamoeba histolytica cysteine protease, putative 0.0334 0.441 0.4054
Echinococcus granulosus cathepsin l1 0.0648 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.012 0.0599 0.0599
Echinococcus granulosus cathepsin b 0.012 0.0599 0.0599
Brugia malayi fibroinase precursor 0.012 0.0599 0.0599
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0434 0.6189 0.5946
Trypanosoma cruzi cruzipain precursor, putative 0.0648 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0648 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.012 0.0599 0.0599

Activities

No activities found for this compound.

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

No literature references available for this target.

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