Detailed information for compound 1435140

Basic information

Technical information
  • TDR Targets ID: 1435140
  • Name: 2-[(2,4-dinitrophenyl)amino]-2-methylpropan-1 -ol
  • MW: 255.227 | Formula: C10H13N3O5
  • H donors: 2 H acceptors: 5 LogP: 2.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(C)C
  • InChi: 1S/C10H13N3O5/c1-10(2,6-14)11-8-4-3-7(12(15)16)5-9(8)13(17)18/h3-5,11,14H,6H2,1-2H3
  • InChiKey: LLXFWMQDMWHYQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2,4-dinitrophenyl)amino]-2-methyl-propan-1-ol
  • 2-(2,4-Dinitro-phenylamino)-2-methyl-propan-1-ol
  • BAS 00253652
  • ZINC04180034
  • MLS000568386
  • A0528/0024469
  • Oprea1_253816
  • SMR000174163

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus peroxisome assembly protein 26 0.0092 0.3711 0.3495
Entamoeba histolytica tubulin gamma chain 0.0084 0.3127 0.8271
Leishmania major alpha tubulin 0.0092 0.3711 1
Echinococcus granulosus tubulin alpha 1C chain 0.0092 0.3711 0.3495
Toxoplasma gondii beta-1 tubulin, putative 0.0084 0.3127 0.8271
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Echinococcus multilocularis peroxisome assembly protein 26 0.0092 0.3711 0.3495
Schistosoma mansoni tubulin subunit gamma 0.0084 0.3127 0.8388
Trichomonas vaginalis tubulin alpha chain, putative 0.0047 0.0535 0.0599
Entamoeba histolytica tubulin alpha chain, putative 0.0092 0.3711 1
Loa Loa (eye worm) BEN-1 protein 0.0084 0.3127 0.3067
Echinococcus multilocularis Tubulin alpha 1 chain 0.0092 0.3711 0.3495
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Echinococcus multilocularis Tubulin alpha 1 chain 0.0092 0.3711 0.3495
Echinococcus multilocularis tubulin beta 1 chain 0.0084 0.3127 0.2891
Brugia malayi Tubulin beta-1 chain 0.0084 0.3127 0.3067
Trypanosoma cruzi tubulin gamma chain 0.0084 0.3127 0.8271
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0 0.5
Loa Loa (eye worm) beta-tubulin 0.0084 0.3127 0.3067
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Echinococcus multilocularis tubulin alpha 3 chain 0.0092 0.3711 0.3495
Entamoeba histolytica tubulin family protein 0.0084 0.3127 0.8271
Leishmania major alpha tubulin 0.0092 0.3711 1
Trypanosoma brucei epsilon tubulin 0.0084 0.3127 0.8271
Loa Loa (eye worm) tubulin beta-1 chain 0.0084 0.3127 0.3067
Trichomonas vaginalis tubulin beta chain, putative 0.0092 0.3711 1
Brugia malayi Tubulin beta chain 0.0047 0.0535 0.0452
Leishmania major gamma-tubulin 0.0084 0.3127 0.8271
Schistosoma mansoni tubulin subunit beta 0.0084 0.3127 0.8388
Schistosoma mansoni tubulin subunit beta 0.0084 0.3127 0.8388
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0092 0.3711 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0084 0.3127 0.8271
Schistosoma mansoni tubulin subunit alpha 0.0092 0.3711 1
Trypanosoma cruzi beta tubulin, putative 0.0084 0.3127 0.8271
Loa Loa (eye worm) hypothetical protein 0.0056 0.1119 0.1041
Echinococcus granulosus tubulin beta 4A class IVa 0.0084 0.3127 0.2891
Echinococcus granulosus tubulin subunit TubB 0.0092 0.3711 0.3495
Leishmania major alpha tubulin 0.0092 0.3711 1
Echinococcus multilocularis tubulin subunit beta 0.0084 0.3127 0.2891
Leishmania major alpha tubulin 0.0092 0.3711 1
Echinococcus granulosus tubulin alpha chain 0.0092 0.3711 0.3495
Echinococcus multilocularis Tubulin beta 2C chain 0.0084 0.3127 0.2891
Leishmania major alpha tubulin 0.0092 0.3711 1
Leishmania major alpha tubulin 0.0092 0.3711 1
Leishmania major alpha tubulin 0.0092 0.3711 1
Trichomonas vaginalis tubulin beta chain, putative 0.0092 0.3711 1
Trichomonas vaginalis tubulin beta chain, putative 0.0092 0.3711 1
Echinococcus multilocularis muscleblind protein 0.018 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0084 0.3127 0.2891
Trichomonas vaginalis tubulin epsilon chain, putative 0.0092 0.3711 1
Trichomonas vaginalis tubulin, putative 0.0047 0.0535 0.0599
Schistosoma mansoni tubulin subunit beta 0.0084 0.3127 0.8388
Trichomonas vaginalis tubulin gamma chain, putative 0.0084 0.3127 0.8271
Brugia malayi Tubulin alpha-2 chain 0.0092 0.3711 0.3656
Echinococcus multilocularis tubulin gamma 1 chain 0.0084 0.3127 0.2891
Leishmania major alpha tubulin 0.0092 0.3711 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0092 0.3711 0.3495
Toxoplasma gondii alpha tubulin TUBA1 0.0092 0.3711 1
Echinococcus granulosus beta tubulin 0.0084 0.3127 0.2891
Trypanosoma brucei alpha tubulin 0.0092 0.3711 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0045 0.0334 0.0249
Echinococcus granulosus tubulin alpha chain 0.0092 0.3711 0.3495
Brugia malayi tubulin alpha-2 chain 0.0092 0.3711 0.3656
Toxoplasma gondii alpha-tubulin I, putative 0.0092 0.3711 1
Echinococcus multilocularis tubulin subunit TubB 0.0092 0.3711 0.3495
Echinococcus granulosus tubulin epsilon chain 0.0084 0.3127 0.2891
Loa Loa (eye worm) inositol-1 0.0045 0.0333 0.0248
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0333 0.5
Echinococcus granulosus tubulin alpha chain 0.0092 0.3711 0.3495
Trichomonas vaginalis tubulin, putative 0.0084 0.3127 0.8271
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Echinococcus granulosus tubulin alpha 1C chain 0.0092 0.3711 0.3495
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Trypanosoma brucei epsilon tubulin 0.0084 0.3127 0.8271
Plasmodium vivax tubulin alpha chain, putative 0.0092 0.3711 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0084 0.3127 0.2891
Loa Loa (eye worm) hypothetical protein 0.006 0.1443 0.1368
Trypanosoma cruzi epsilon tubulin, putative 0.0084 0.3127 0.8271
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0333 0.5
Echinococcus granulosus alpha tubulin 0.0092 0.3711 0.3495
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Echinococcus multilocularis tubulin alpha chain 0.0092 0.3711 0.3495
Loa Loa (eye worm) tubulin alpha chain 0.0092 0.3711 0.3656
Trichomonas vaginalis tubulin alpha chain, putative 0.0084 0.3127 0.8271
Schistosoma mansoni inositol monophosphatase 0.0045 0.0333 0.0678
Loa Loa (eye worm) tubulin alpha chain 0.0092 0.3711 0.3656
Echinococcus granulosus Tubulin beta 2C chain 0.0084 0.3127 0.2891
Brugia malayi Tubulin alpha-2 chain 0.0092 0.3711 0.3656
Schistosoma mansoni alpha tubulin 0.0092 0.3711 1
Plasmodium falciparum alpha tubulin 2 0.0092 0.3711 1
Echinococcus granulosus beta tubulin 0.0084 0.3127 0.2891
Brugia malayi Inositol-1 0.0045 0.0333 0.0248
Echinococcus multilocularis tubulin epsilon chain 0.0084 0.3127 0.2891
Echinococcus granulosus tubulin alpha 3 chain 0.0092 0.3711 0.3495
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Loa Loa (eye worm) hypothetical protein 0.0045 0.0334 0.0249
Echinococcus multilocularis tubulin alpha chain 0.0092 0.3711 0.3495
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0084 0.3127 0.8271
Leishmania major epsilon tubulin, putative 0.0084 0.3127 0.8271
Toxoplasma gondii beta-tubulin, putative 0.0084 0.3127 0.8271
Trichomonas vaginalis tubulin epsilon chain, putative 0.0084 0.3127 0.8271
Echinococcus granulosus Tubulin alpha 1 chain 0.0092 0.3711 0.3495
Echinococcus multilocularis beta tubulin 0.0084 0.3127 0.2891
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1443 0.1368
Giardia lamblia Alpha-tubulin 0.0092 0.3711 1
Brugia malayi alpha-tubulin 0.0092 0.3711 0.3656
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Echinococcus multilocularis beta tubulin 0.0084 0.3127 0.2891
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Trypanosoma brucei alpha tubulin, putative 0.0047 0.0535 0.0599
Trichomonas vaginalis tubulin alpha chain, putative 0.0047 0.0535 0.0599
Loa Loa (eye worm) alpha-tubulin 0.0092 0.3711 0.3656
Trypanosoma brucei beta tubulin 0.0084 0.3127 0.8271
Echinococcus granulosus tubulin alpha chain 0.0092 0.3711 0.3495
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0084 0.3127 0.8271
Entamoeba histolytica tubulin alpha-1 chain 0.0092 0.3711 1
Trypanosoma brucei beta tubulin 0.0084 0.3127 0.8271
Loa Loa (eye worm) tubulin beta chain 0.0084 0.3127 0.3067
Loa Loa (eye worm) tubulin gamma chain 0.0084 0.3127 0.3067
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0084 0.3127 0.8271
Echinococcus granulosus tubulin subunit beta 0.0084 0.3127 0.2891
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Onchocerca volvulus 0.0047 0.0535 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0084 0.3127 0.2891
Leishmania major alpha tubulin 0.0092 0.3711 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0092 0.3711 0.3495
Schistosoma mansoni inositol monophosphatase 0.0045 0.0333 0.0678
Echinococcus multilocularis tubulin alpha chain 0.0092 0.3711 0.3495
Schistosoma mansoni tubulin subunit beta 0.0084 0.3127 0.8388
Brugia malayi beta-tubulin, identical 0.0084 0.3127 0.3067
Schistosoma mansoni tubulin subunit epsilon 0.0084 0.3127 0.8388
Trichomonas vaginalis tubulin beta chain, putative 0.0092 0.3711 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1443 0.1368
Loa Loa (eye worm) tubulin beta-4 chain 0.0084 0.3127 0.3067
Schistosoma mansoni tubulin subunit beta 0.0084 0.3127 0.8388
Trypanosoma brucei alpha tubulin 0.0092 0.3711 1
Leishmania major alpha tubulin 0.0092 0.3711 1
Echinococcus granulosus tubulin alpha chain 0.0092 0.3711 0.3495
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Trichomonas vaginalis tubulin beta chain, putative 0.0084 0.3127 0.8271
Loa Loa (eye worm) alpha-tubulin 0.0092 0.3711 0.3656
Trypanosoma brucei beta tubulin 0.0084 0.3127 0.8271
Echinococcus granulosus Tubulin beta 2C chain 0.0084 0.3127 0.2891
Trypanosoma brucei beta tubulin 0.0084 0.3127 0.8271
Echinococcus granulosus tubulin alpha 0.0084 0.3127 0.2891
Echinococcus granulosus Tubulin alpha 1 chain 0.0092 0.3711 0.3495
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1443 0.1368
Trypanosoma brucei alpha tubulin 0.0092 0.3711 1
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Schistosoma mansoni tubulin subunit beta 0.0084 0.3127 0.8388
Toxoplasma gondii beta tubulin 0.0084 0.3127 0.8271
Plasmodium falciparum alpha tubulin 1 0.0092 0.3711 1
Echinococcus granulosus Tubulin beta 2C chain 0.0084 0.3127 0.2891
Trypanosoma brucei tubulin gamma chain 0.0084 0.3127 0.8271
Entamoeba histolytica tubulin family protein 0.0084 0.3127 0.8271
Echinococcus multilocularis Tubulin beta 2C chain 0.0084 0.3127 0.2891
Echinococcus multilocularis Tubulin beta 2C chain 0.0084 0.3127 0.2891
Echinococcus multilocularis tubulin alpha chain 0.0092 0.3711 0.3495
Leishmania major alpha tubulin 0.0092 0.3711 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0084 0.3127 0.2891
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0045 0.0334 0.0002
Echinococcus granulosus muscleblind protein 0.018 1 1
Giardia lamblia Alpha-tubulin 0.0092 0.3711 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.3711 0.3656
Trichomonas vaginalis tubulin epsilon chain, putative 0.0092 0.3711 1
Trichomonas vaginalis tubulin beta chain, putative 0.0092 0.3711 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0092 0.3711 0.3495
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Trichomonas vaginalis tubulin beta chain, putative 0.0047 0.0535 0.0599
Brugia malayi Tubulin gamma chain 0.0084 0.3127 0.3067
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Trypanosoma cruzi epsilon tubulin, putative 0.0084 0.3127 0.8271
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Trypanosoma brucei beta tubulin 0.0084 0.3127 0.8271
Schistosoma mansoni alpha tubulin 0.0092 0.3711 1
Trypanosoma cruzi alpha tubulin, putative 0.0092 0.3711 1
Echinococcus multilocularis hypothetical protein 0.0092 0.3711 0.3495
Echinococcus multilocularis tubulin alpha 1C chain 0.0092 0.3711 0.3495
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Echinococcus multilocularis tubulin alpha 3 chain 0.0092 0.3711 0.3495
Echinococcus granulosus tubulin gamma 1 chain 0.0084 0.3127 0.2891
Echinococcus multilocularis tubulin alpha 0.0084 0.3127 0.2891
Loa Loa (eye worm) BEN-1 protein 0.0084 0.3127 0.3067
Loa Loa (eye worm) tubulin beta-2A chain 0.0084 0.3127 0.3067
Trichomonas vaginalis tubulin beta chain, putative 0.0092 0.3711 1
Loa Loa (eye worm) tubulin alpha 2 0.0056 0.1119 0.1041
Trypanosoma brucei epsilon tubulin 0.0084 0.3127 0.8271
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Loa Loa (eye worm) tubulin alpha 2 0.0056 0.1119 0.1041
Schistosoma mansoni tubulin subunit alpha 0.0092 0.3711 1
Schistosoma mansoni alpha tubulin 0.0092 0.3711 1
Echinococcus granulosus tubulin beta 1 chain 0.0084 0.3127 0.2891
Trichomonas vaginalis tubulin gamma chain, putative 0.0084 0.3127 0.8271
Trichomonas vaginalis tubulin alpha chain, putative 0.0047 0.0535 0.0599
Trypanosoma brucei alpha tubulin 0.0092 0.3711 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0092 0.3711 0.3656
Trichomonas vaginalis tubulin, putative 0.0047 0.0535 0.0599
Brugia malayi Tubulin alpha chain 0.0092 0.3711 0.3656
Echinococcus granulosus Tubulin beta 2C chain 0.0084 0.3127 0.2891
Echinococcus granulosus tubulin alpha 3 chain 0.0092 0.3711 0.3495
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0047 0.0535 0.0599
Brugia malayi tubulin alpha chain - mouse 0.0092 0.3711 0.3656
Echinococcus multilocularis tubulin alpha chain 0.0092 0.3711 0.3495
Leishmania major alpha tubulin 0.0092 0.3711 1
Schistosoma mansoni tubulin subunit alpha 0.0092 0.3711 1
Leishmania major beta tubulin 0.0084 0.3127 0.8271
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0056 0.1119 0.1041
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0056 0.1119 0.2328
Plasmodium vivax tubulin alpha chain, putative 0.0092 0.3711 1
Leishmania major beta tubulin 0.0084 0.3127 0.8271

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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