Detailed information for compound 60414

Basic information

Technical information
  • TDR Targets ID: 60414
  • Name: [(2R,4S)-4-amino-2-benzylpiperidin-1-yl]-[3,5 -bis(trifluoromethyl)phenyl]methanone
  • MW: 430.387 | Formula: C21H20F6N2O
  • H donors: 1 H acceptors: 1 LogP: 4.79 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H]1CCN([C@@H](C1)Cc1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
  • InChi: 1S/C21H20F6N2O/c22-20(23,24)15-9-14(10-16(11-15)21(25,26)27)19(30)29-7-6-17(28)12-18(29)8-13-4-2-1-3-5-13/h1-5,9-11,17-18H,6-8,12,28H2/t17-,18+/m0/s1
  • InChiKey: CZEMMCCUTSUYFU-ZWKOTPCHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(2R,4S)-4-amino-2-benzyl-1-piperidyl]-[3,5-bis(trifluoromethyl)phenyl]methanone
  • [(2R,4S)-4-amino-2-benzyl-1-piperidinyl]-[3,5-bis(trifluoromethyl)phenyl]methanone
  • [(2R,4S)-4-azanyl-2-(phenylmethyl)piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
  • [(2R,4S)-4-amino-2-benzyl-piperidino]-[3,5-bis(trifluoromethyl)phenyl]methanone
  • [(2R,4S)-4-amino-2-(phenylmethyl)piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
  • [(2R,4S)-4-amino-2-(phenylmethyl)-1-piperidyl]-[3,5-bis(trifluoromethyl)phenyl]methanone
  • [(2R,4S)-4-amino-2-(phenylmethyl)-1-piperidinyl]-[3,5-bis(trifluoromethyl)phenyl]methanone
  • [(2R,4S)-4-amino-2-(benzyl)-1-piperidyl]-[3,5-bis(trifluoromethyl)phenyl]methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tachykinin receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04224 tachykinin receptor 3, putative Get druggable targets OG5_137770 All targets in OG5_137770
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
Trichomonas vaginalis tubulin alpha chain, putative 0.0645 0.5555 0.5555
Loa Loa (eye worm) BEN-1 protein 0.1147 1 1
Echinococcus granulosus beta tubulin 0.1147 1 1
Trypanosoma brucei tubulin gamma chain 0.0705 0.6086 0.605
Brugia malayi hypoxia-induced factor 1 0.0164 0.1291 0.1291
Echinococcus granulosus tubulin alpha chain 0.0864 0.7498 0.7498
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0091 0.0091
Echinococcus multilocularis tubulin subunit beta 0.1147 1 1
Plasmodium falciparum tubulin beta chain 0.1147 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0144 0.0144
Loa Loa (eye worm) tubulin alpha chain 0.0864 0.7498 0.7498
Loa Loa (eye worm) tubulin beta chain 0.0296 0.246 0.246
Entamoeba histolytica tubulin family protein 0.1147 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0864 0.7498 0.7498
Echinococcus granulosus Tubulin alpha 1 chain 0.0864 0.7498 0.7498
Toxoplasma gondii beta-tubulin, putative 0.1147 1 1
Echinococcus granulosus tubulin alpha 0.0645 0.5555 0.5555
Echinococcus granulosus tubulin gamma 1 chain 0.0705 0.6086 0.6086
Trypanosoma brucei zeta tubulin, putative 0.0914 0.794 0.7921
Trypanosoma cruzi tubulin delta chain 0.0666 0.5738 0.5738
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0569 0.4876 0.4876
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0569 0.4876 0.4876
Leishmania major beta tubulin 0.1147 1 1
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Trichomonas vaginalis tubulin alpha chain, putative 0.0349 0.2934 0.2934
Schistosoma mansoni tubulin subunit beta 0.1147 1 1
Leishmania major hypothetical protein, conserved 0.0028 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0515 0.4402 0.4402
Leishmania major gamma-tubulin 0.0705 0.6086 0.6086
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Leishmania major beta tubulin 0.1147 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0864 0.7498 0.7498
Schistosoma mansoni tubulin subunit beta 0.1147 1 1
Giardia lamblia Beta tubulin 0.1147 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0569 0.4876 0.4876
Plasmodium vivax tubulin alpha chain, putative 0.0864 0.7498 0.7498
Loa Loa (eye worm) beta-tubulin 0.1147 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0704 0.6078 0.6078
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0534 0.0534
Echinococcus multilocularis tubulin alpha chain 0.0864 0.7498 0.7498
Trypanosoma brucei alpha tubulin 0.0864 0.7498 0.7475
Loa Loa (eye worm) BEN-1 protein 0.1147 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0705 0.6086 0.6086
Trypanosoma brucei beta tubulin 0.1147 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.04 0.04
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0144 0.0144
Trypanosoma brucei alpha tubulin 0.0864 0.7498 0.7475
Leishmania major beta tubulin 0.1147 1 1
Plasmodium vivax delta tubulin, putative 0.0296 0.246 0.246
Leishmania major beta tubulin 0.1147 1 1
Trypanosoma brucei epsilon tubulin 0.0704 0.6078 0.6042
Trypanosoma brucei epsilon tubulin 0.0645 0.5555 0.5515
Schistosoma mansoni tubulin subunit alpha 0.0864 0.7498 0.7498
Echinococcus granulosus tubulin alpha chain 0.0864 0.7498 0.7498
Trypanosoma brucei beta tubulin 0.1147 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Brugia malayi PAS domain containing protein 0.0053 0.0308 0.0308
Trypanosoma brucei zeta tubulin 0.0914 0.794 0.7921
Brugia malayi tubulin alpha chain - mouse 0.0864 0.7498 0.7498
Toxoplasma gondii tubulin, putative 0.0059 0.0361 0.0361
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0144 0.0144
Brugia malayi hypothetical protein 0.0018 0.0001 0.0001
Brugia malayi Tubulin alpha-2 chain 0.0864 0.7498 0.7498
Trypanosoma brucei beta tubulin 0.0645 0.5555 0.5515
Echinococcus multilocularis hypothetical protein 0.0864 0.7498 0.7498
Echinococcus multilocularis tubulin subunit TubB 0.0864 0.7498 0.7498
Trypanosoma brucei tubulin delta chain 0.0666 0.5738 0.5699
Trypanosoma cruzi alpha tubulin, putative 0.0864 0.7498 0.7498
Trypanosoma brucei beta tubulin 0.1147 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0864 0.7498 0.7498
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Trichomonas vaginalis tubulin, putative 0.0356 0.299 0.299
Echinococcus multilocularis Tubulin beta 2C chain 0.1147 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0864 0.7498 0.7498
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0296 0.246 0.5
Brugia malayi hypothetical protein 0.0178 0.1413 0.1413
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0144 0.0144
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0144 0.0054
Echinococcus multilocularis transfer RNA-Lys 0.0039 0.0186 0.0186
Echinococcus multilocularis tubulin, beta 4A class IVa 0.1147 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Trichomonas vaginalis tubulin beta chain, putative 0.0864 0.7498 0.7498
Trichomonas vaginalis tubulin beta chain, putative 0.0864 0.7498 0.7498
Brugia malayi follicle stimulating hormone receptor 0.0255 0.2098 0.2098
Echinococcus granulosus geminin 0.0179 0.1421 0.1421
Treponema pallidum cell division protein FtsZ 0.0296 0.246 0.5
Echinococcus granulosus tubulin beta 4A class IVa 0.1147 1 1
Entamoeba histolytica tubulin gamma chain 0.0705 0.6086 0.6086
Giardia lamblia Alpha-tubulin 0.0864 0.7498 0.6681
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Schistosoma mansoni tubulin subunit delta 0.0296 0.246 0.246
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Mycobacterium tuberculosis Cell division protein FtsZ 0.0296 0.246 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0144 0.0144
Brugia malayi isocitrate dehydrogenase 0.0034 0.0144 0.0144
Leishmania major beta tubulin 0.1147 1 1
Entamoeba histolytica hypothetical protein 0.0079 0.0534 0.0534
Leishmania major cathepsin L-like protease 0.0069 0.0454 0.0454
Echinococcus granulosus tubulin subunit beta 0.1147 1 1
Schistosoma mansoni tubulin subunit alpha 0.0296 0.246 0.246
Brugia malayi Tubulin alpha chain 0.0296 0.246 0.246
Leishmania major epsilon tubulin, putative 0.0704 0.6078 0.6078
Brugia malayi hypothetical protein 0.0028 0.009 0.009
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0666 0.5738 0.5738
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0144 0.0144
Echinococcus multilocularis tubulin delta chain 0.0296 0.246 0.246
Echinococcus multilocularis tubulin gamma 1 chain 0.0705 0.6086 0.6086
Trichomonas vaginalis tubulin gamma chain, putative 0.1147 1 1
Schistosoma mansoni tubulin subunit beta 0.1147 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.1147 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0704 0.6078 0.6078
Loa Loa (eye worm) tubulin beta-4 chain 0.1147 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0864 0.7498 0.7498
Echinococcus multilocularis tubulin alpha 1C chain 0.0864 0.7498 0.7498
Echinococcus multilocularis tubulin beta 1 chain 0.1147 1 1
Trypanosoma cruzi zeta tubulin, putative 0.0914 0.794 0.794
Plasmodium vivax tubulin gamma chain, putative 0.0705 0.6086 0.6086
Schistosoma mansoni tubulin subunit beta 0.0296 0.246 0.246
Loa Loa (eye worm) hypothetical protein 0.0028 0.009 0.009
Trichomonas vaginalis tubulin alpha chain, putative 0.0349 0.2934 0.2934
Echinococcus multilocularis tubulin alpha 1C chain 0.0864 0.7498 0.7498
Echinococcus granulosus Tubulin beta 2C chain 0.1147 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0645 0.5555 0.5555
Entamoeba histolytica tubulin alpha chain, putative 0.0864 0.7498 0.7498
Giardia lamblia Gamma tubulin 0.0705 0.6086 0.4809
Leishmania major beta tubulin 0.1147 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Plasmodium vivax tubulin epsilon chain, putative 0.0704 0.6078 0.6078
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Trichomonas vaginalis tubulin, putative 0.1147 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0864 0.7498 0.7498
Echinococcus granulosus tubulin alpha 3 chain 0.0864 0.7498 0.7498
Brugia malayi hypothetical protein 0.0079 0.0534 0.0534
Giardia lamblia Beta tubulin 0.1147 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0255 0.2098 0.2098
Echinococcus granulosus Tubulin alpha 1 chain 0.0864 0.7498 0.7498
Echinococcus granulosus single minded 2 0.0039 0.0186 0.0186
Loa Loa (eye worm) alpha-tubulin 0.0864 0.7498 0.7498
Toxoplasma gondii alpha tubulin TUBA1 0.0864 0.7498 0.7498
Loa Loa (eye worm) tubulin beta chain 0.1147 1 1
Loa Loa (eye worm) hypothetical protein 0.0864 0.7498 0.7498
Leishmania major beta tubulin 0.1147 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.009 0.009
Echinococcus granulosus tubulin alpha chain 0.0864 0.7498 0.7498
Echinococcus granulosus Tubulin beta 2C chain 0.1147 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0864 0.7498 0.7498
Leishmania major beta tubulin 0.1147 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0144 0.0144
Echinococcus multilocularis peroxisome assembly protein 26 0.0864 0.7498 0.7498
Loa Loa (eye worm) hypoxia-induced factor 1 0.0164 0.1291 0.1291
Giardia lamblia Alpha-tubulin 0.0864 0.7498 0.6681
Schistosoma mansoni alpha tubulin 0.0864 0.7498 0.7498
Trichomonas vaginalis tubulin beta chain, putative 0.0864 0.7498 0.7498
Trypanosoma cruzi tubulin gamma chain 0.0705 0.6086 0.6086
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.009 0.009
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0454 0.0454
Schistosoma mansoni tubulin subunit gamma 0.0705 0.6086 0.6086
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0534 0.0534
Echinococcus granulosus tubulin alpha chain 0.0864 0.7498 0.7498
Plasmodium falciparum tubulin delta chain, putative 0.0296 0.246 0.246
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Leishmania major zeta tubulin, putative 0.0914 0.794 0.794
Leishmania major beta tubulin 0.1147 1 1
Trypanosoma brucei alpha tubulin, putative 0.0349 0.2934 0.287
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.0454 0.0454
Trypanosoma brucei epsilon tubulin 0.0704 0.6078 0.6042
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0349 0.2934 0.2934
Brugia malayi Tubulin gamma chain 0.0705 0.6086 0.6086
Entamoeba histolytica hypothetical protein 0.0079 0.0534 0.0534
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0296 0.246 0.246
Brugia malayi Tubulin beta chain 0.0296 0.246 0.246
Toxoplasma gondii beta tubulin 0.1147 1 1
Schistosoma mansoni hypothetical protein 0.0179 0.1421 0.1421
Onchocerca volvulus 0.0349 0.2934 1
Trichomonas vaginalis tubulin, putative 0.0349 0.2934 0.2934
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0515 0.4402 0.4402
Schistosoma mansoni aryl hydrocarbon receptor 0.0053 0.0308 0.0308
Echinococcus multilocularis Tubulin alpha 1 chain 0.0864 0.7498 0.7498
Echinococcus multilocularis tubulin alpha chain 0.0864 0.7498 0.7498
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.009 0.009
Trichomonas vaginalis tubulin gamma chain, putative 0.0704 0.6078 0.6078
Echinococcus multilocularis tubulin alpha chain 0.0864 0.7498 0.7498
Leishmania major beta tubulin 0.1147 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0454 0.0454
Giardia lamblia Epsilon tubulin 0.0355 0.2983 0.0694
Echinococcus multilocularis tubulin epsilon chain 0.0704 0.6078 0.6078
Leishmania major delta tubulin, putative 0.0666 0.5738 0.5738
Trichomonas vaginalis tubulin beta chain, putative 0.0864 0.7498 0.7498
Trypanosoma cruzi zeta tubulin, putative 0.0914 0.794 0.794
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0144 0.0144
Toxoplasma gondii beta-1 tubulin, putative 0.1147 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0864 0.7498 0.7498
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.009 0.009
Trichomonas vaginalis tubulin epsilon chain, putative 0.1147 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0864 0.7498 0.7498
Trypanosoma cruzi beta tubulin, putative 0.1147 1 1
Schistosoma mansoni alpha tubulin 0.0864 0.7498 0.7498
Leishmania major cathepsin L-like protease 0.0069 0.0454 0.0454
Trichomonas vaginalis tubulin gamma chain, putative 0.0296 0.246 0.246
Echinococcus granulosus Tubulin beta 2C chain 0.1147 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0144 0.0144
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0144 0.0144
Trichomonas vaginalis tubulin beta chain, putative 0.1147 1 1
Echinococcus granulosus tubulin delta chain 0.0296 0.246 0.246
Schistosoma mansoni tubulin subunit beta 0.1147 1 1
Echinococcus granulosus tubulin beta 1 chain 0.1147 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0144 0.0144
Echinococcus multilocularis tubulin alpha chain 0.0864 0.7498 0.7498
Brugia malayi Tubulin beta chain 0.0349 0.2934 0.2934
Leishmania major beta tubulin 0.1147 1 1
Echinococcus multilocularis tubulin alpha 0.0645 0.5555 0.5555
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Schistosoma mansoni hypothetical protein 0.0079 0.0534 0.0534
Loa Loa (eye worm) tubulin beta-2A chain 0.1147 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0144 0.0054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Loa Loa (eye worm) tubulin alpha-3 chain 0.0515 0.4402 0.4402
Echinococcus multilocularis Tubulin beta 2C chain 0.1147 1 1
Echinococcus multilocularis beta tubulin 0.1147 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0864 0.7498 0.7498
Onchocerca volvulus 0.0039 0.0186 0.0633
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0144 0.0144
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0144 0.0144
Brugia malayi beta-tubulin, identical 0.1147 1 1
Brugia malayi bHLH-PAS transcription factor 0.0039 0.0186 0.0186
Echinococcus multilocularis Tubulin beta 2C chain 0.1147 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.1147 1 1
Leishmania major beta tubulin 0.1147 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0296 0.246 0.246
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0534 0.0534
Loa Loa (eye worm) hypothetical protein 0.0178 0.1413 0.1413
Echinococcus multilocularis tubulin alpha chain 0.0864 0.7498 0.7498
Mycobacterium leprae cell division protein FtsZ 0.0296 0.246 0.5
Echinococcus multilocularis tubulin alpha 3 chain 0.0864 0.7498 0.7498
Schistosoma mansoni tubulin subunit beta 0.1147 1 1
Echinococcus granulosus tubulin alpha chain 0.0864 0.7498 0.7498
Plasmodium vivax tubulin alpha chain, putative 0.0864 0.7498 0.7498
Echinococcus granulosus alpha tubulin 0.0864 0.7498 0.7498
Leishmania major beta tubulin 0.1147 1 1
Loa Loa (eye worm) alpha-tubulin 0.0864 0.7498 0.7498
Trichomonas vaginalis tubulin alpha chain, putative 0.1147 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Brugia malayi tubulin alpha-2 chain 0.0864 0.7498 0.7498
Brugia malayi Cell division protein ftsZ 0.0296 0.246 0.246
Echinococcus multilocularis tubulin alpha 3 chain 0.0864 0.7498 0.7498
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0864 0.7498 0.7498
Trypanosoma cruzi tubulin delta chain 0.0666 0.5738 0.5738
Loa Loa (eye worm) hypothetical protein 0.0569 0.4876 0.4876
Leishmania major beta tubulin 0.1147 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.1147 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0355 0.2983 0.2983
Leishmania major beta tubulin 0.1147 1 1
Trypanosoma brucei alpha tubulin 0.0864 0.7498 0.7475
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0144 0.0144
Schistosoma mansoni alpha tubulin 0.0864 0.7498 0.7498
Leishmania major beta tubulin 0.1147 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0296 0.246 0.246
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Leishmania major cathepsin L-like protease 0.0069 0.0454 0.0454
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Trichomonas vaginalis tubulin beta chain, putative 0.0349 0.2934 0.2934
Leishmania major beta tubulin 0.1147 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.1147 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0864 0.7498 0.7498
Plasmodium falciparum alpha tubulin 1 0.0864 0.7498 0.7498
Schistosoma mansoni tubulin subunit beta 0.1147 1 1
Plasmodium falciparum tubulin gamma chain 0.0705 0.6086 0.6086
Entamoeba histolytica tubulin family protein 0.1147 1 1
Schistosoma mansoni single-minded 0.0053 0.0308 0.0308
Trichomonas vaginalis conserved hypothetical protein 0.0296 0.246 0.246
Leishmania major beta tubulin 0.1147 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0705 0.6086 0.6086
Echinococcus granulosus beta tubulin 0.1147 1 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0055 0.0322 0.0322
Trypanosoma brucei alpha tubulin 0.0864 0.7498 0.7475
Brugia malayi Tubulin alpha-2 chain 0.0864 0.7498 0.7498
Echinococcus granulosus tubulin subunit TubB 0.0864 0.7498 0.7498
Loa Loa (eye worm) tubulin alpha 2 0.0219 0.1781 0.1781
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.009 0.009
Entamoeba histolytica hypothetical protein 0.0079 0.0534 0.0534
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0454 0.0367
Loa Loa (eye worm) tubulin alpha chain 0.0864 0.7498 0.7498
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0144 0.0144
Brugia malayi Cytochrome P450 family protein 0.0028 0.0091 0.0091
Toxoplasma gondii alpha-tubulin I, putative 0.0864 0.7498 0.7498
Echinococcus multilocularis Tubulin alpha 1 chain 0.0864 0.7498 0.7498
Mycobacterium ulcerans cell division protein FtsZ 0.0296 0.246 1
Echinococcus granulosus tubulin epsilon chain 0.0704 0.6078 0.6078
Trichomonas vaginalis tubulin epsilon chain, putative 0.0864 0.7498 0.7498
Schistosoma mansoni tubulin subunit epsilon 0.0704 0.6078 0.6078
Plasmodium falciparum alpha tubulin 2 0.0864 0.7498 0.7498
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0144 0.0144
Schistosoma mansoni tubulin subunit alpha 0.0864 0.7498 0.7498
Loa Loa (eye worm) tubulin alpha 2 0.0569 0.4876 0.4876
Plasmodium vivax tubulin beta chain, putative 0.1147 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.1147 1 1
Brugia malayi Tubulin alpha chain 0.0864 0.7498 0.7498
Trypanosoma brucei beta tubulin 0.1147 1 1
Entamoeba histolytica hypothetical protein 0.0079 0.0534 0.0534
Trichomonas vaginalis tubulin, putative 0.0349 0.2934 0.2934
Echinococcus multilocularis Tubulin beta 2C chain 0.1147 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0454 0.0454
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Brugia malayi alpha-tubulin 0.0864 0.7498 0.7498
Trichomonas vaginalis tubulin alpha chain, putative 0.0349 0.2934 0.2934
Leishmania major alpha tubulin 0.0864 0.7498 0.7498
Echinococcus multilocularis beta tubulin 0.1147 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.009 0.009
Giardia lamblia Beta tubulin 0.1147 1 1
Echinococcus multilocularis geminin 0.0179 0.1421 0.1421
Schistosoma mansoni hypothetical protein 0.0179 0.1421 0.1421
Schistosoma mansoni tubulin subunit alpha 0.0864 0.7498 0.7498
Plasmodium falciparum tubulin epsilon chain, putative 0.0704 0.6078 0.6078

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 180 nM Inhibition of [3H]-SP radioligand binding to NK1 receptor from bovine retina ChEMBL. No reference
IC50 (binding) = 180 nM Inhibition of [3H]-SP radioligand binding to NK1 receptor from bovine retina ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.