Detailed information for compound 206062

Basic information

Technical information
  • TDR Targets ID: 206062
  • Name: N-[4-carbamimidoyl-2-[[(3S)-3-[(7-methoxynaph thalen-2-yl)sulfonyl-methylamino]-2-oxopyrrol idin-1-yl]methyl]phenyl]acetamide
  • MW: 523.604 | Formula: C26H29N5O5S
  • H donors: 2 H acceptors: 4 LogP: 1.62 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc2c(c1)cc(cc2)S(=O)(=O)N([C@H]1CCN(C1=O)Cc1cc(ccc1NC(=O)C)C(=N)N)C
  • InChi: 1S/C26H29N5O5S/c1-16(32)29-23-9-6-18(25(27)28)12-20(23)15-31-11-10-24(26(31)33)30(2)37(34,35)22-8-5-17-4-7-21(36-3)13-19(17)14-22/h4-9,12-14,24H,10-11,15H2,1-3H3,(H3,27,28)(H,29,32)/t24-/m0/s1
  • InChiKey: XGLNNPQGQSORDQ-DEOSSOPVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-carbamimidoyl-2-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]phenyl]acetamide
  • N-[4-carbamimidoyl-2-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-methylamino]-2-oxo-1-pyrrolidinyl]methyl]phenyl]acetamide
  • N-[4-carbamimidoyl-2-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]phenyl]ethanamide
  • N-[4-amidino-2-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-methyl-amino]pyrrolidino]methyl]phenyl]acetamide
  • N-[4-amidino-2-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-methyl-amino]pyrrolidin-1-yl]methyl]phenyl]acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor X Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References
Bos taurus Trypsin II Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni aminopeptidase PILS (M01 family) Trypsin II   247 aa 298 aa 24.5 %
Schistosoma japonicum Transmembrane protease, serine 9, putative Trypsin II   247 aa 246 aa 24.8 %
Drosophila melanogaster CG13744 gene product from transcript CG13744-RA Trypsin II   247 aa 250 aa 31.6 %
Echinococcus granulosus transmembrane protease serine 3 Trypsin II   247 aa 233 aa 34.3 %
Drosophila melanogaster Jonah 99Ci Trypsin II   247 aa 268 aa 32.5 %
Onchocerca volvulus Trypsin II   247 aa 258 aa 22.9 %
Drosophila melanogaster Spatzle-Processing Enzyme Trypsin II   247 aa 269 aa 27.5 %
Drosophila melanogaster Jonah 66Ci Trypsin II   247 aa 237 aa 30.4 %
Drosophila melanogaster CG33465 gene product from transcript CG33465-RC Trypsin II   247 aa 203 aa 20.7 %
Drosophila melanogaster CG31326 gene product from transcript CG31326-RA Trypsin II   247 aa 249 aa 23.7 %
Schistosoma japonicum ko:K01346 pancreatic elastase II [EC3.4.21.71], putative Trypsin II   247 aa 303 aa 24.8 %
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family Trypsin II   247 aa 287 aa 27.2 %
Echinococcus multilocularis Mastin Trypsin II   247 aa 306 aa 25.5 %
Onchocerca volvulus Trypsin II   247 aa 257 aa 26.5 %
Drosophila melanogaster CG3505 gene product from transcript CG3505-RA Trypsin II   247 aa 236 aa 30.1 %
Drosophila melanogaster CG30323 gene product from transcript CG30323-RB Trypsin II   247 aa 212 aa 23.6 %
Drosophila melanogaster CG18420 gene product from transcript CG18420-RA Trypsin II   247 aa 233 aa 28.3 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin II   247 aa 247 aa 34.0 %
Echinococcus multilocularis transmembrane protease serine 3 Trypsin II   247 aa 233 aa 34.8 %
Echinococcus granulosus Mastin Trypsin II   247 aa 306 aa 25.2 %
Drosophila melanogaster CG14990 gene product from transcript CG14990-RA Trypsin II   247 aa 238 aa 30.2 %
Drosophila melanogaster CG9673 gene product from transcript CG9673-RB Trypsin II   247 aa 258 aa 26.4 %
Drosophila melanogaster CG4914 gene product from transcript CG4914-RA Trypsin II   247 aa 244 aa 37.3 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin II   247 aa 217 aa 23.0 %
Drosophila melanogaster CG5909 gene product from transcript CG5909-RA Trypsin II   247 aa 257 aa 28.8 %
Drosophila melanogaster CG4815 gene product from transcript CG4815-RA Trypsin II   247 aa 208 aa 27.4 %
Echinococcus multilocularis enteropeptidase Trypsin II   247 aa 227 aa 26.0 %
Drosophila melanogaster Jonah 65Aii Trypsin II   247 aa 237 aa 35.4 %
Drosophila melanogaster CG33458 gene product from transcript CG33458-RA Trypsin II   247 aa 255 aa 29.4 %
Drosophila melanogaster CG3916 gene product from transcript CG3916-RA Trypsin II   247 aa 257 aa 33.5 %
Drosophila melanogaster CG30288 gene product from transcript CG30288-RC Trypsin II   247 aa 248 aa 28.6 %
Echinococcus granulosus glycoprotein Antigen 5 Trypsin II   247 aa 301 aa 22.3 %
Drosophila melanogaster CG31220 gene product from transcript CG31220-RB Trypsin II   247 aa 224 aa 29.5 %
Echinococcus multilocularis glycoprotein Antigen 5 Trypsin II   247 aa 302 aa 23.2 %
Echinococcus granulosus enteropeptidase Trypsin II   247 aa 227 aa 26.4 %
Schistosoma japonicum ko:K09637 transmembrane protease, serine 6, putative Trypsin II   247 aa 242 aa 29.8 %
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Trypsin II   247 aa 302 aa 25.5 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin II   247 aa 239 aa 22.2 %
Schistosoma japonicum Enteropeptidase, putative Trypsin II   247 aa 267 aa 26.2 %
Drosophila melanogaster CG18180 gene product from transcript CG18180-RA Trypsin II   247 aa 234 aa 31.2 %
Drosophila melanogaster CG34436 gene product from transcript CG34436-RA Trypsin II   247 aa 213 aa 24.9 %
Drosophila melanogaster Jonah 65Aiii Trypsin II   247 aa 238 aa 32.8 %
Drosophila melanogaster CG11313 gene product from transcript CG11313-RC Trypsin II   247 aa 223 aa 33.2 %
Drosophila melanogaster CG9733 gene product from transcript CG9733-RB Trypsin II   247 aa 262 aa 31.3 %
Drosophila melanogaster CG30287 gene product from transcript CG30287-RA Trypsin II   247 aa 251 aa 27.1 %
Drosophila melanogaster CG10405 gene product from transcript CG10405-RB Trypsin II   247 aa 254 aa 33.1 %
Schistosoma mansoni cercarial elastase (S01 family) Trypsin II   247 aa 217 aa 23.0 %
Drosophila melanogaster CG32277 gene product from transcript CG32277-RA Trypsin II   247 aa 240 aa 32.9 %
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) Trypsin II   247 aa 287 aa 27.2 %
Drosophila melanogaster CG31267 gene product from transcript CG31267-RA Trypsin II   247 aa 263 aa 32.7 %
Drosophila melanogaster CG30083 gene product from transcript CG30083-RB Trypsin II   247 aa 205 aa 30.2 %
Drosophila melanogaster CG17239 gene product from transcript CG17239-RB Trypsin II   247 aa 224 aa 34.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Tubulin beta 2C chain 0.0256 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0193 0.6681 0.6681
Trypanosoma brucei zeta tubulin, putative 0.0204 0.7268 0.7085
Echinococcus granulosus tubulin alpha chain 0.0193 0.6681 0.6681
Trypanosoma cruzi epsilon tubulin, putative 0.0157 0.4799 0.0798
Onchocerca volvulus 0.012 0.2827 1
Trypanosoma brucei zeta tubulin 0.0204 0.7268 0.7085
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Schistosoma mansoni tubulin subunit beta 0.0256 1 1
Trypanosoma cruzi beta tubulin, putative 0.0256 1 1
Giardia lamblia Beta tubulin 0.0256 1 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0066 0 0.5
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0144 0.4105 0.3666
Trichomonas vaginalis tubulin, putative 0.0078 0.0629 0.0629
Entamoeba histolytica tubulin family protein 0.0256 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.012 0.2827 0.2827
Echinococcus multilocularis tubulin alpha 0.0144 0.4105 0.4105
Trichomonas vaginalis tubulin alpha chain, putative 0.0256 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0256 1 1
Leishmania major beta tubulin 0.0256 1 1
Echinococcus multilocularis beta tubulin 0.0256 1 1
Leishmania major beta tubulin 0.0256 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0256 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0127 0.3205 0.3205
Loa Loa (eye worm) hypothetical protein 0.0115 0.2576 0.2576
Loa Loa (eye worm) tubulin beta-2A chain 0.0256 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0157 0.4799 0.4799
Echinococcus multilocularis tubulin alpha 1C chain 0.0193 0.6681 0.6681
Entamoeba histolytica tubulin alpha chain, putative 0.0193 0.6681 0.3607
Trichomonas vaginalis tubulin beta chain, putative 0.0193 0.6681 0.6681
Plasmodium vivax tubulin alpha chain, putative 0.0193 0.6681 0.6681
Trichomonas vaginalis tubulin beta chain, putative 0.0193 0.6681 0.6681
Echinococcus granulosus Tubulin beta 2C chain 0.0256 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0127 0.3205 0.3205
Echinococcus granulosus Tubulin beta 2C chain 0.0256 1 1
Echinococcus multilocularis hypothetical protein 0.0193 0.6681 0.6681
Trypanosoma brucei beta tubulin 0.0256 1 1
Plasmodium falciparum tubulin beta chain 0.0256 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0115 0.2576 0.2576
Trypanosoma brucei epsilon tubulin 0.0144 0.4105 0.371
Leishmania major beta tubulin 0.0256 1 1
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Schistosoma mansoni tubulin subunit beta 0.0256 1 1
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0256 1 1
Trypanosoma cruzi tubulin gamma chain 0.0157 0.4809 0.0817
Echinococcus granulosus tubulin alpha 1C chain 0.0193 0.6681 0.6681
Echinococcus granulosus tubulin alpha 3 chain 0.0193 0.6681 0.6681
Loa Loa (eye worm) hypothetical protein 0.0127 0.3205 0.3205
Plasmodium vivax tubulin alpha chain, putative 0.0193 0.6681 0.6681
Loa Loa (eye worm) alpha-tubulin 0.0193 0.6681 0.6681
Trypanosoma brucei alpha tubulin 0.0193 0.6681 0.6459
Loa Loa (eye worm) BEN-1 protein 0.0256 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0193 0.6681 0.6681
Leishmania major beta tubulin 0.0256 1 1
Echinococcus granulosus beta tubulin 0.0256 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0256 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0157 0.4809 0.4809
Brugia malayi alpha-tubulin 0.0193 0.6681 0.6681
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Toxoplasma gondii alpha tubulin TUBA1 0.0193 0.6681 0.6434
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Trichomonas vaginalis tubulin, putative 0.0256 1 1
Echinococcus granulosus tubulin alpha 0.0144 0.4105 0.4105
Echinococcus multilocularis tubulin alpha chain 0.0193 0.6681 0.6681
Loa Loa (eye worm) tubulin gamma chain 0.0157 0.4809 0.4809
Leishmania major beta tubulin 0.0256 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0193 0.6681 0.6681
Schistosoma mansoni tubulin subunit gamma 0.0157 0.4809 0.4809
Schistosoma mansoni tubulin subunit beta 0.0256 1 1
Leishmania major beta tubulin 0.0256 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0078 0.0629 0.0629
Brugia malayi Trypsin family protein 0.012 0.2827 0.2827
Leishmania major beta tubulin 0.0256 1 1
Leishmania major epsilon tubulin, putative 0.0157 0.4799 0.0798
Echinococcus multilocularis Tubulin beta 2C chain 0.0256 1 1
Echinococcus multilocularis tubulin alpha chain 0.0193 0.6681 0.6681
Echinococcus granulosus tubulin gamma 1 chain 0.0157 0.4809 0.4809
Loa Loa (eye worm) tubulin alpha-3 chain 0.0115 0.2576 0.2576
Leishmania major beta tubulin 0.0256 1 1
Trypanosoma cruzi zeta tubulin, putative 0.0204 0.7268 0.5167
Plasmodium vivax tubulin epsilon chain, putative 0.0157 0.4799 0.4799
Leishmania major beta tubulin 0.0256 1 1
Plasmodium falciparum alpha tubulin 2 0.0193 0.6681 0.6681
Trichomonas vaginalis tubulin beta chain, putative 0.0193 0.6681 0.6681
Brugia malayi beta-tubulin, identical 0.0256 1 1
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Echinococcus multilocularis Tubulin beta 2C chain 0.0256 1 1
Trichomonas vaginalis tubulin, putative 0.0079 0.0704 0.0704
Mycobacterium leprae cell division protein FtsZ 0.0066 0 0.5
Toxoplasma gondii alpha-tubulin I, putative 0.0193 0.6681 0.6434
Echinococcus granulosus tubulin beta 4A class IVa 0.0256 1 1
Brugia malayi Tubulin beta chain 0.0078 0.0629 0.0629
Trichomonas vaginalis tubulin beta chain, putative 0.0193 0.6681 0.6681
Schistosoma mansoni tubulin subunit alpha 0.0193 0.6681 0.6681
Trypanosoma brucei alpha tubulin 0.0193 0.6681 0.6459
Leishmania major beta tubulin 0.0256 1 1
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Trichomonas vaginalis tubulin beta chain, putative 0.0193 0.6681 0.6681
Loa Loa (eye worm) tubulin alpha 2 0.0127 0.3205 0.3205
Echinococcus granulosus peroxisome assembly protein 26 0.0193 0.6681 0.6681
Trypanosoma brucei beta tubulin 0.0256 1 1
Treponema pallidum cell division protein FtsZ 0.0066 0 0.5
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0149 0.4348 0.3926
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0193 0.6681 0.6681
Loa Loa (eye worm) hypothetical protein 0.012 0.2827 0.2827
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0066 0 0.5
Entamoeba histolytica tubulin family protein 0.0256 1 1
Giardia lamblia Gamma tubulin 0.0157 0.4809 0.4809
Loa Loa (eye worm) tubulin alpha chain 0.0193 0.6681 0.6681
Giardia lamblia Alpha-tubulin 0.0193 0.6681 0.6681
Giardia lamblia Beta tubulin 0.0256 1 1
Echinococcus granulosus tubulin subunit beta 0.0256 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0193 0.6681 0.6681
Giardia lamblia Epsilon tubulin 0.0079 0.0694 0.0694
Loa Loa (eye worm) beta-tubulin 0.0256 1 1
Echinococcus multilocularis tubulin subunit beta 0.0256 1 1
Schistosoma mansoni alpha tubulin 0.0193 0.6681 0.6681
Loa Loa (eye worm) tubulin beta-4 chain 0.0256 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0256 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0157 0.4809 0.4809
Onchocerca volvulus 0.0106 0.2124 0.6802
Trypanosoma brucei tubulin delta chain 0.0149 0.4348 0.3968
Trypanosoma brucei epsilon tubulin 0.0157 0.4799 0.445
Trichomonas vaginalis tubulin, putative 0.0078 0.0629 0.0629
Echinococcus granulosus tubulin alpha chain 0.0193 0.6681 0.6681
Echinococcus multilocularis tubulin alpha 1C chain 0.0193 0.6681 0.6681
Echinococcus granulosus tubulin beta 1 chain 0.0256 1 1
Loa Loa (eye worm) BEN-1 protein 0.0256 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0157 0.4799 0.0798
Toxoplasma gondii beta-tubulin, putative 0.0256 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0193 0.6681 0.6681
Schistosoma mansoni tubulin subunit alpha 0.0193 0.6681 0.6681
Trypanosoma brucei alpha tubulin 0.0193 0.6681 0.6459
Leishmania major beta tubulin 0.0256 1 1
Trypanosoma brucei alpha tubulin 0.0193 0.6681 0.6459
Echinococcus granulosus tubulin alpha chain 0.0193 0.6681 0.6681
Echinococcus granulosus Tubulin alpha 1 chain 0.0193 0.6681 0.6681
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0078 0.0629 0.0629
Giardia lamblia Beta tubulin 0.0256 1 1
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Trypanosoma brucei beta tubulin 0.0256 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0256 1 1
Leishmania major zeta tubulin, putative 0.0204 0.7268 0.5167
Echinococcus multilocularis Tubulin beta 2C chain 0.0256 1 1
Plasmodium falciparum alpha tubulin 1 0.0193 0.6681 0.6681
Echinococcus granulosus Tubulin alpha 1 chain 0.0193 0.6681 0.6681
Giardia lamblia Alpha-tubulin 0.0193 0.6681 0.6681
Schistosoma mansoni tubulin subunit alpha 0.0193 0.6681 0.6681
Echinococcus multilocularis beta tubulin 0.0256 1 1
Loa Loa (eye worm) tubulin beta chain 0.0256 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.012 0.2827 0.2827
Brugia malayi Tubulin alpha chain 0.0193 0.6681 0.6681
Trypanosoma cruzi alpha tubulin, putative 0.0193 0.6681 0.4129
Plasmodium falciparum tubulin epsilon chain, putative 0.0157 0.4799 0.4799
Loa Loa (eye worm) hypothetical protein 0.012 0.2827 0.2827
Plasmodium falciparum tubulin gamma chain 0.0157 0.4809 0.4809
Loa Loa (eye worm) hypothetical protein 0.0193 0.6681 0.6681
Schistosoma mansoni alpha tubulin 0.0193 0.6681 0.6681
Trypanosoma brucei tubulin gamma chain 0.0157 0.4809 0.4461
Trichomonas vaginalis tubulin alpha chain, putative 0.0078 0.0629 0.0629
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Schistosoma mansoni alpha tubulin 0.0193 0.6681 0.6681
Schistosoma mansoni tubulin subunit epsilon 0.0157 0.4799 0.4799
Echinococcus multilocularis Tubulin alpha 1 chain 0.0193 0.6681 0.6681
Echinococcus multilocularis tubulin epsilon chain 0.0157 0.4799 0.4799
Echinococcus granulosus Tubulin beta 2C chain 0.0256 1 1
Brugia malayi tubulin alpha-2 chain 0.0193 0.6681 0.6681
Leishmania major beta tubulin 0.0256 1 1
Leishmania major beta tubulin 0.0256 1 1
Plasmodium vivax tubulin beta chain, putative 0.0256 1 1
Leishmania major gamma-tubulin 0.0157 0.4809 0.0817
Echinococcus multilocularis Tubulin alpha 1 chain 0.0193 0.6681 0.6681
Leishmania major beta tubulin 0.0256 1 1
Echinococcus multilocularis tubulin alpha chain 0.0193 0.6681 0.6681
Trypanosoma cruzi zeta tubulin, putative 0.0204 0.7268 0.5167
Leishmania major beta tubulin 0.0256 1 1
Echinococcus granulosus tubulin alpha chain 0.0193 0.6681 0.6681
Echinococcus granulosus tubulin alpha chain 0.0193 0.6681 0.6681
Echinococcus granulosus tubulin alpha 1C chain 0.0193 0.6681 0.6681
Brugia malayi Tubulin alpha-2 chain 0.0193 0.6681 0.6681
Trichomonas vaginalis tubulin alpha chain, putative 0.0078 0.0629 0.0629
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Loa Loa (eye worm) alpha-tubulin 0.0193 0.6681 0.6681
Brugia malayi tubulin alpha chain - mouse 0.0193 0.6681 0.6681
Echinococcus multilocularis tubulin beta 1 chain 0.0256 1 1
Trypanosoma brucei beta tubulin 0.0256 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0193 0.6681 0.6681
Echinococcus granulosus tubulin subunit TubB 0.0193 0.6681 0.6681
Trichomonas vaginalis tubulin alpha chain, putative 0.0144 0.4105 0.4105
Trichomonas vaginalis tubulin epsilon chain, putative 0.0193 0.6681 0.6681
Echinococcus multilocularis Tubulin beta 2C chain 0.0256 1 1
Leishmania major beta tubulin 0.0256 1 1
Echinococcus multilocularis tubulin alpha chain 0.0193 0.6681 0.6681
Echinococcus multilocularis tubulin alpha chain 0.0193 0.6681 0.6681
Leishmania major beta tubulin 0.0256 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.0066 0 0.5
Schistosoma mansoni tubulin subunit beta 0.0256 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0193 0.6681 0.3607
Plasmodium vivax tubulin gamma chain, putative 0.0157 0.4809 0.4809
Loa Loa (eye worm) tubulin alpha 2 0.0127 0.3205 0.3205
Echinococcus granulosus tubulin epsilon chain 0.0157 0.4799 0.4799
Trypanosoma brucei epsilon tubulin 0.0157 0.4799 0.445
Schistosoma mansoni tubulin subunit beta 0.0256 1 1
Leishmania major beta tubulin 0.0256 1 1
Brugia malayi Tubulin gamma chain 0.0157 0.4809 0.4809
Trichomonas vaginalis tubulin beta chain, putative 0.0193 0.6681 0.6681
Trichomonas vaginalis tubulin beta chain, putative 0.0078 0.0629 0.0629
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Schistosoma mansoni tubulin subunit beta 0.0256 1 1
Toxoplasma gondii beta tubulin 0.0256 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0256 1 1
Brugia malayi Tubulin alpha-2 chain 0.0193 0.6681 0.6681
Trypanosoma brucei beta tubulin 0.0144 0.4105 0.371
Echinococcus granulosus alpha tubulin 0.0193 0.6681 0.6681
Echinococcus multilocularis tubulin subunit TubB 0.0193 0.6681 0.6681
Trichomonas vaginalis tubulin gamma chain, putative 0.0256 1 1
Echinococcus granulosus beta tubulin 0.0256 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0193 0.6681 0.6681
Echinococcus granulosus tubulin alpha 3 chain 0.0193 0.6681 0.6681
Echinococcus multilocularis tubulin alpha 3 chain 0.0193 0.6681 0.6681
Leishmania major alpha tubulin 0.0193 0.6681 0.4129
Echinococcus granulosus Tubulin beta 2C chain 0.0256 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 919 nM Inhibition of human coagulation factor Xa ChEMBL. 10479289
Ki (binding) = 919 nM Inhibition of human coagulation factor Xa ChEMBL. 10479289
Ki (binding) > 2900 nM Inhibition of bovine pancreatic trypsin ChEMBL. 10479289
Ki (binding) > 2900 nM Inhibition of bovine pancreatic trypsin ChEMBL. 10479289
Ki (binding) > 4000 nM Inhibition of human coagulation factor II ChEMBL. 10479289
Ki (binding) > 4000 nM Inhibition of human coagulation factor II ChEMBL. 10479289

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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