Detailed information for compound 1372985

Basic information

Technical information
  • TDR Targets ID: 1372985
  • Name: MLS001004334
  • MW: 320.216 | Formula: C16H15Cl2N3
  • H donors: 0 H acceptors: 0 LogP: 3.41 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C1=Nc2c3c1cccc3c(cc2Cl)Cl
  • InChi: 1S/C16H15Cl2N3/c1-20-5-7-21(8-6-20)16-11-4-2-3-10-12(17)9-13(18)15(19-16)14(10)11/h2-4,9H,5-8H2,1H3
  • InChiKey: YHQNNNRQZPECDU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000347927

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens SUMO1/sentrin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus sentrin specific protease 1 Get druggable targets OG5_127954 All targets in OG5_127954
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium falciparum sentrin-specific protease 1 Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_127954 All targets in OG5_127954
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_127954 All targets in OG5_127954
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_127954 All targets in OG5_127954
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum ULP1 like chllamydin domain containing protease Get druggable targets OG5_127954 All targets in OG5_127954
Plasmodium knowlesi sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_127954 All targets in OG5_127954
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii similar to sentrin/SUMO-specific protease Get druggable targets OG5_127954 All targets in OG5_127954
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_127954 All targets in OG5_127954
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein Get druggable targets OG5_127954 All targets in OG5_127954
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium berghei sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Schistosoma japonicum ko:K08592 sentrin-specific protease 1, putative Get druggable targets OG5_127954 All targets in OG5_127954
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis sentrin specific protease 1 Get druggable targets OG5_127954 All targets in OG5_127954
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Theileria parva hypothetical protein Get druggable targets OG5_127954 All targets in OG5_127954
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis muscleblind protein 1 0.018 0.0754 0.0754
Brugia malayi jmjC domain containing protein 0.0101 0.0387 0.0349
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.015 0.015
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0187 0.0148
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0717 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0173 0.0173
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0121 0.0476 0.3464
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0717 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0126 0.0126
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0253 0.1091 0.1091
Trichomonas vaginalis CAMK family protein kinase 0.0121 0.0476 0.2727
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.015 0.0946
Echinococcus multilocularis short transient receptor potential channel 6 0.0148 0.0602 0.0602
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.217 1 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0056 0.0177 0.0139
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1556 1
Trichomonas vaginalis CAMK family protein kinase 0.0121 0.0476 0.2727
Plasmodium falciparum sentrin-specific protease 1 0.0056 0.0177 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0717 1
Schistosoma mansoni transient receptor potential channel 0.0148 0.0602 0.0602
Echinococcus multilocularis transient receptor potential gamma protein 0.022 0.0938 0.0938
Echinococcus granulosus muscleblind protein 0.018 0.0754 0.0754
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.006 0.006
Onchocerca volvulus 0.0037 0.0088 0.0674
Schistosoma mansoni serine/threonine protein kinase 0.217 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0539 0.0539
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.015 0.0946
Onchocerca volvulus 0.0058 0.0187 0.3049
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.006 0.006
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.021 0.021
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1243 0.1243
Brugia malayi Bromodomain containing protein 0.008 0.0286 0.0248
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.015 0.015
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0086 0.0315 0.0315
Schistosoma mansoni transient receptor potential channel 4 0.022 0.0938 0.0938
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.0387 0.0387
Loa Loa (eye worm) hypothetical protein 0.0053 0.0162 0.0162
Echinococcus multilocularis chromobox protein 1 0.0084 0.0307 0.0307
Schistosoma mansoni bromodomain containing protein 0.0067 0.0228 0.0228
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.009 0.009
Schistosoma mansoni hypothetical protein 0.0205 0.0867 0.0867
Loa Loa (eye worm) hypothetical protein 0.022 0.0938 0.0938
Loa Loa (eye worm) hypothetical protein 0.005 0.015 0.015
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0099 0.0099
Echinococcus granulosus zinc finger protein 0.0021 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0031 0.006 0.006
Echinococcus granulosus sentrin specific protease 1 0.0056 0.0177 0.0177
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1556 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0072 0.0252 0.0252
Schistosoma mansoni zinc finger protein 0.0021 0.0012 0.0012
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0253 0.1091 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0173 0.0173
Echinococcus granulosus chromobox protein 1 0.0084 0.0307 0.0307
Echinococcus multilocularis transient receptor potential ion channel A 0.0206 0.0875 0.0875
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0038 0.0091 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0121 0.0476 0.0476
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0135 0.0431
Loa Loa (eye worm) hypothetical protein 0.0038 0.0091 0.0091
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1243 0.1243
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0307 0.1588
Loa Loa (eye worm) hypothetical protein 0.0056 0.0177 0.0177
Brugia malayi latrophilin 2 splice variant baaae 0.0109 0.0421 0.0384
Loa Loa (eye worm) hypothetical protein 0.005 0.015 0.015
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0135 0.1812
Schistosoma mansoni serine/threonine protein kinase 0.0121 0.0476 0.0476
Loa Loa (eye worm) hypothetical protein 0.0038 0.0091 0.0091
Schistosoma mansoni hypothetical protein 0.0205 0.0867 0.0867
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0056 0.0177 0.0716
Loa Loa (eye worm) hypothetical protein 0.0286 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.005 0.015 0.015
Echinococcus multilocularis sodium channel protein 0.0107 0.0413 0.0413
Brugia malayi jmjC domain containing protein 0.0039 0.0099 0.0061
Onchocerca volvulus Serine\/threonine kinase homolog 0.0121 0.0476 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0159 0.0654 0.0654
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0056 0.0177 0.0177
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3789 0.3789
Mycobacterium ulcerans hypothetical protein 0.005 0.015 0.0946
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0173 0.0173
Echinococcus granulosus transient receptor potential ion channel A 0.0206 0.0875 0.0875
Echinococcus multilocularis mitogen activated protein kinase 14 0.0253 0.1091 0.1091
Brugia malayi Heterochromatin protein 1 0.0084 0.0307 0.0269
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0121 0.0476 0.0476
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.015 0.0111
Trichomonas vaginalis CAMK family protein kinase 0.0121 0.0476 0.2727
Brugia malayi Latrophilin receptor protein 2 0.005 0.015 0.0111
Trichomonas vaginalis CAMK family protein kinase 0.0063 0.0208 0.0924
Brugia malayi AMP-binding enzyme family protein 0.005 0.015 0.0112
Loa Loa (eye worm) hypothetical protein 0.0075 0.0265 0.0265
Brugia malayi hypothetical protein 0.0286 0.1243 0.1209
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.015 0.0946
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0173 0.0134
Brugia malayi Muscleblind-like protein 0.018 0.0754 0.0718
Loa Loa (eye worm) hypothetical protein 0.005 0.015 0.015
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0152 0.2211
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0116 0.0116
Echinococcus multilocularis calcium activated potassium channel 0.002 0.0011 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1556 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0173 0.0173
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0159 0.0654 0.0618
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3789 0.3789
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0173 0.0173
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0056 0.0177 0.0177
Echinococcus granulosus MAP kinase activated protein kinase 2 0.217 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0121 0.0476 0.0476
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3789 0.3789
Brugia malayi Calcitonin receptor-like protein seb-1 0.0159 0.0654 0.0618
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0056 0.0177 1
Schistosoma mansoni kinase 0.0064 0.0215 0.0215
Schistosoma mansoni transient receptor potential channel 0.0148 0.0602 0.0602
Brugia malayi Bromodomain containing protein 0.0033 0.0071 0.0033
Echinococcus granulosus TRP transient receptor potential channel 0.0086 0.0315 0.0315
Echinococcus granulosus mitogen activated protein kinase 11 0.0253 0.1091 0.1091
Schistosoma mansoni chromobox protein 0.0084 0.0307 0.0307
Trichomonas vaginalis CAMK family protein kinase 0.0121 0.0476 0.2727
Echinococcus multilocularis peregrin 0.0033 0.0071 0.0071
Echinococcus multilocularis GPCR, family 2 0.005 0.015 0.015
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.015 0.0946
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0038 0.0091 0.0091
Schistosoma mansoni transient receptor potential channel 0.022 0.0938 0.0938
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0152 0.0543
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0586 0.0586
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.015 0.015
Echinococcus granulosus calcium activated potassium channel 0.002 0.0011 0.0011
Plasmodium vivax sentrin-specific protease 1, putative 0.0056 0.0177 1
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.015 0.0946
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1556 1
Echinococcus granulosus short transient receptor potential channel 6 0.0148 0.0602 0.0602
Loa Loa (eye worm) hypothetical protein 0.0086 0.0315 0.0315
Schistosoma mansoni hypothetical protein 0.005 0.015 0.015
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.217 1 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0056 0.0177 0.0193
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.015 0.015
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.0387 0.0387
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0152 0.0543
Echinococcus granulosus short transient receptor potential channel 6 0.0148 0.0602 0.0602
Giardia lamblia Kinase, PLK 0.0121 0.0476 0.2782
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.018 0.0754 0.0754
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0213 0.0213
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0003 0.0003
Echinococcus granulosus geminin 0.0205 0.0867 0.0867
Loa Loa (eye worm) hypothetical protein 0.0043 0.0117 0.0117
Echinococcus multilocularis mitogen activated protein kinase 11 0.0253 0.1091 0.1091
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.006 0.006
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0116 0.0116
Schistosoma mansoni chromobox protein 0.0084 0.0307 0.0307
Schistosoma mansoni hypothetical protein 0.005 0.015 0.015
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.015 0.1082
Echinococcus multilocularis geminin 0.0205 0.0867 0.0867
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1556 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.0654 0.0654
Brugia malayi serine/threonine-protein kinase plk-2 0.0121 0.0476 0.0439
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0099 0.0099
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0099 0.0099
Entamoeba histolytica serine/threonine protein kinase, putative 0.0121 0.0476 0.2317
Echinococcus multilocularis short transient receptor potential channel 6 0.0148 0.0602 0.0602
Loa Loa (eye worm) hypothetical protein 0.0047 0.0135 0.0135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0173 0.0173
Echinococcus multilocularis chromobox protein 1 0.0084 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0109 0.0421 0.0421
Echinococcus granulosus mitogen activated protein kinase 14 0.0253 0.1091 0.1091
Brugia malayi PHD-finger family protein 0.0031 0.006 0.0021
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.015 0.0946
Echinococcus granulosus peregrin 0.0033 0.0071 0.0071
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0307 0.1588
Schistosoma mansoni survival motor neuron protein 0.0058 0.0187 0.0187
Plasmodium vivax acyl-CoA synthetase, putative 0.0038 0.0091 0.2662
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0027 0.0027
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0027 0.0027
Trichomonas vaginalis CAMK family protein kinase 0.0063 0.0208 0.0924
Trichomonas vaginalis CAMK family protein kinase 0.0121 0.0476 0.2727
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0109 0.0421 0.0421
Echinococcus multilocularis mitogen activated protein kinase 11 0.0253 0.1091 0.1091
Loa Loa (eye worm) hypothetical protein 0.0038 0.0091 0.0091
Brugia malayi P38 map kinase family protein 2 0.0253 0.1091 0.1056
Brugia malayi Bromodomain containing protein 0.0041 0.0105 0.0066
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0107 0.0413 0.0413
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.1556 1
Schistosoma mansoni hypothetical protein 0.0022 0.0018 0.0018
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.0091 0.015
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0093 0.0093
Echinococcus multilocularis mitogen activated protein kinase 14 0.0253 0.1091 0.1091
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1556 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1556 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.021 0.021
Schistosoma mansoni hypothetical protein 0.0058 0.0187 0.0187
Echinococcus multilocularis zinc finger protein 0.0021 0.0012 0.0012
Brugia malayi AMP-binding enzyme family protein 0.005 0.015 0.0112
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.015 0.1082
Trichomonas vaginalis CAMK family protein kinase 0.0121 0.0476 0.2727
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0135 0.0431
Onchocerca volvulus 0.005 0.015 0.2175
Echinococcus granulosus chromobox protein 1 0.0084 0.0307 0.0307
Echinococcus granulosus sodium channel protein 0.0107 0.0413 0.0413
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0099 0.0099
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1556 1
Brugia malayi MH2 domain containing protein 0.0144 0.0586 0.0549
Schistosoma mansoni hypothetical protein 0.0031 0.006 0.006
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0586 0.0586
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1556 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.1556 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0037 0.0088 0.0088
Schistosoma mansoni jumonji domain containing protein 0.008 0.029 0.029
Plasmodium falciparum acyl-CoA synthetase 0.0038 0.0091 0.2662
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0307 0.0307
Trichomonas vaginalis CAMK family protein kinase 0.0121 0.0476 0.2727
Brugia malayi Transient-receptor-potential like protein 0.0086 0.0315 0.0277
Brugia malayi AMP-binding enzyme family protein 0.005 0.015 0.0112
Echinococcus multilocularis sentrin specific protease 1 0.0056 0.0177 0.0177
Echinococcus multilocularis muscleblind protein 0.018 0.0754 0.0754
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0253 0.1091 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0107 0.0413 0.2797
Schistosoma mansoni hypothetical protein 0.005 0.015 0.015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0173 0.0173
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1556 1
Echinococcus granulosus GPCR family 2 0.005 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0041 0.0105 0.0105
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0173 0.0173
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.015 0.0946
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0253 0.1091 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0135 0.0097
Loa Loa (eye worm) hypothetical protein 0.018 0.0754 0.0754
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0093 0.0093
Echinococcus granulosus transient receptor potential gamma protein 0.022 0.0938 0.0938
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0253 0.1091 1
Schistosoma mansoni hypothetical protein 0.005 0.015 0.015

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 6.95 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the catalytic domain of the SUMO protease, SENP1 in a kinetic FRET assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 10.2 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the catalytic domain of the SUMO protease, SENP1 in a FRET assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0046 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.8336 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 19.9054 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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 Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 51.7352 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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