Detailed information for compound 1322987

Basic information

Technical information
  • TDR Targets ID: 1322987
  • Name: 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-d iazepane
  • MW: 232.364 | Formula: C15H24N2
  • H donors: 0 H acceptors: 0 LogP: 2.66 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCCN(CC1)Cc1ccc(cc1C)C
  • InChi: 1S/C15H24N2/c1-13-5-6-15(14(2)11-13)12-17-8-4-7-16(3)9-10-17/h5-6,11H,4,7-10,12H2,1-3H3
  • InChiKey: GUPLVXKCZPJBAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,4-dimethylbenzyl)-4-methyl-1,4-diazepane
  • MLS001000502
  • SMR000496058

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, 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
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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Giardia lamblia Kinase, PLK 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
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
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis serine:threonine protein kinase PLK1 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Serine/threonine-protein kinase PLK1, 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
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cathepsin l1 0.0066 0.0985 0.2449
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Leishmania major cathepsin L-like protease 0.017 0.4246 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0801 0.1156
Loa Loa (eye worm) hypothetical protein 0.0041 0.0202 0.0275
Echinococcus multilocularis cysteine protease 0.0066 0.0985 0.242
Brugia malayi Cathepsin L-like precursor 0.0046 0.0346 0.0487
Schistosoma mansoni cathepsin F (C01 family) 0.0046 0.0346 0.0825
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2493 0.2457
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2493 0.2457
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Echinococcus granulosus cathepsin l cysteine peptidase 0.0066 0.0985 0.2449
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0042 0.0066
Brugia malayi Pre-SET motif family protein 0.0036 0.0042 0.0039
Onchocerca volvulus Cathepsin L homolog 0.0066 0.0985 0.1231
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0448 0.1115
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0042 0.0066
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0248 0.0343
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0163 0.4024 1
Echinococcus granulosus cysteine protease 0.0036 0.0048 0.0119
Brugia malayi Papain family cysteine protease containing protein 0.0036 0.0048 0.0048
Echinococcus multilocularis cysteine protease 0.0066 0.0985 0.242
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0248 0.0581
Brugia malayi Cathepsin L-like cysteine proteinase 0.0046 0.0346 0.0487
Loa Loa (eye worm) hypothetical protein 0.0046 0.0346 0.0487
Trypanosoma cruzi cysteine peptidase, putative 0.017 0.4246 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1788 0.4422
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0042 0.0066
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2493 0.2457
Brugia malayi cathepsin B-like cysteine proteinase 0.0163 0.4024 0.5902
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0801 0.1156
Loa Loa (eye worm) hypothetical protein 0.0066 0.0985 0.1429
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.0985 0.0942
Loa Loa (eye worm) hypothetical protein 0.0046 0.0346 0.0487
Trypanosoma cruzi cruzipain precursor, putative 0.017 0.4246 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0066 0.0985 0.0942
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0066 0.0985 0.242
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Leishmania major cysteine peptidase A (CPA) 0.0066 0.0985 0.0438
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0042 0.0066
Echinococcus multilocularis cathepsin L cysteine protease 0.0066 0.0985 0.242
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0163 0.4024 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6807 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0163 0.4024 0.9471
Entamoeba histolytica cysteine proteinase, putative 0.0046 0.0346 0.03
Plasmodium vivax vivapain-1 0.0036 0.0048 0.0336
Plasmodium vivax SET domain protein, putative 0.0036 0.0042 0.0273
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Loa Loa (eye worm) cathepsin B 0.0061 0.0836 0.1208
Onchocerca volvulus 0.0066 0.0985 0.1231
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2532 0.6293
Leishmania major cathepsin L-like protease 0.0066 0.0985 0.0438
Schistosoma mansoni cathepsin F (C01 family) 0.0066 0.0985 0.242
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0248 0.0581
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0046 0.0346 0.03
Onchocerca volvulus 0.0066 0.0985 0.1231
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0066 0.0985 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0448 0.1081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Schistosoma mansoni hypothetical protein 0.0041 0.0202 0.0466
Entamoeba histolytica cysteine protease, putative 0.0066 0.0985 0.0942
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.2493 0.5826
Echinococcus granulosus peregrin 0.0035 0.0015 0.0038
Loa Loa (eye worm) hypothetical protein 0.006 0.0806 0.1164
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 1 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.2493 0.3144
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0061 0.0836 0.2047
Leishmania major cathepsin L-like protease 0.0066 0.0985 0.0438
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0985 0.2234
Onchocerca volvulus Cathepsin F homolog 0.0066 0.0985 0.1231
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0015 0.0038
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Toxoplasma gondii cathepsin B 0.0061 0.0836 0.8459
Plasmodium falciparum cysteine proteinase falcipain 1 0.0036 0.0048 0.0336
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.2493 0.5826
Loa Loa (eye worm) cysteine protease 0.0066 0.0985 0.1429
Echinococcus multilocularis cathepsin b 0.0163 0.4024 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1193 0.1735
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.0985 0.0942
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4327 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4327 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.0985 0.0942
Loa Loa (eye worm) hypothetical protein 0.0163 0.4024 0.5902
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0061 0.0836 0.0792
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0066 0.0985 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.2493 0.3649
Entamoeba histolytica cysteine proteinase, putative 0.0066 0.0985 0.0942
Brugia malayi cathepsin L-like precursor 0.0046 0.0346 0.0487
Onchocerca volvulus 0.0036 0.0042 0.0034
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0801 0.1156
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0248 0.0581
Loa Loa (eye worm) fibroinase 0.0066 0.0985 0.1429
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2493 0.2457
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Echinococcus multilocularis cathepsin L cysteine protease 0.0066 0.0985 0.242
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2493 0.2457
Onchocerca volvulus Cathepsin L homolog 0.0066 0.0985 0.1231
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.0985 0.0942
Toxoplasma gondii cathepsin CPL 0.0066 0.0985 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Echinococcus multilocularis cathepsin L 0.0036 0.0048 0.0081
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2493 0.2457
Onchocerca volvulus 0.0066 0.0985 0.1231
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Onchocerca volvulus 0.0066 0.0985 0.1231
Loa Loa (eye worm) ctsf protein 0.0066 0.0985 0.1429
Entamoeba histolytica cysteine proteinase, putative 0.0066 0.0985 0.0942
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0066 0.0985 0.242
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.2493 0.6182
Leishmania major cathepsin L-like protease 0.0066 0.0985 0.0438
Leishmania major cathepsin L-like protease 0.0066 0.0985 0.0438
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.2493 0.3649
Leishmania major cathepsin L-like protease 0.0066 0.0985 0.0438
Trypanosoma cruzi major cysteine proteinase, putative 0.012 0.2669 0.6244
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0163 0.4024 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7898 0.7888
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.0985 0.0942
Giardia lamblia Kinase, PLK 0.0114 0.2493 0.2482
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0046 0.0346 0.03
Brugia malayi Cathepsin L-like precursor 0.0066 0.0985 0.1429
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0036 0.0048 0.0081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Brugia malayi Cathepsin L-like precursor 0.0046 0.0346 0.0487
Echinococcus granulosus cathepsin L cysteine protease 0.0036 0.0048 0.0119
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0163 0.4024 1
Brugia malayi Cathepsin L-like precursor 0.0066 0.0985 0.1429
Brugia malayi Cathepsin L-like precursor 0.0066 0.0985 0.1429
Giardia lamblia Cathepsin B precursor 0.0061 0.0836 0.0822
Schistosoma mansoni kinase 0.0058 0.0731 0.1785
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.0985 0.0942
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2493 0.2457
Brugia malayi jmjC domain containing protein 0.0043 0.0248 0.0343
Plasmodium vivax vivapain-2 0.0066 0.0985 1
Onchocerca volvulus 0.0066 0.0985 0.1231
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0683 0.0639
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0042 0.0066
Echinococcus granulosus cathepsin L cysteine proteinase 0.0066 0.0985 0.2449
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0149 0.3606 0.8477
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0066 0.0985 0.0942
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.0985 0.0942
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.2493 0.2457
Echinococcus granulosus cathepsin L 0.0036 0.0048 0.0119
Loa Loa (eye worm) hypothetical protein 0.006 0.0801 0.1156
Giardia lamblia Cathepsin B precursor 0.0061 0.0836 0.0822
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Schistosoma mansoni cathepsin F (C01 family) 0.0066 0.0985 0.242
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0036 0.0048 0.0081
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0248 0.0616
Echinococcus granulosus cathepsin b 0.0163 0.4024 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0066 0.0985 0.1429
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0042 0.0066
Brugia malayi jmjC domain containing protein 0.0115 0.2532 0.3706
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.2493 0.6182
Echinococcus multilocularis cathepsin b 0.0163 0.4024 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0066 0.0985 0.1429
Brugia malayi Cathepsin L-like precursor 0.0066 0.0985 0.1429
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0061 0.0836 0.1877
Onchocerca volvulus 0.0046 0.0346 0.042
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.0985 0.0942
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.0985 0.0942
Trypanosoma brucei cysteine peptidase C (CPC) 0.0061 0.0836 0.1877
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2532 0.6279
Brugia malayi Cathepsin L-like precursor 0.0066 0.0985 0.1429
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0683 0.0639
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0042 0.0273
Onchocerca volvulus 0.0066 0.0985 0.1231
Brugia malayi Cathepsin L-like precursor 0.0066 0.0985 0.1429
Echinococcus granulosus cathepsin l1 0.0046 0.0346 0.086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Trypanosoma cruzi cysteine peptidase, putative 0.017 0.4246 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0042 0.0104
Giardia lamblia Cathepsin B precursor 0.0061 0.0836 0.0822
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 1 1
Leishmania major cathepsin L-like protease 0.017 0.4246 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.017 0.4246 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.2493 0.5826
Leishmania major cathepsin L-like protease 0.017 0.4246 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0202 0.0275
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Plasmodium vivax vivapain-2 0.0066 0.0985 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Onchocerca volvulus 0.0286 0.7898 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.2493 0.4861
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Plasmodium vivax vivapain-3 0.0036 0.0048 0.0336
Echinococcus granulosus cathepsin b 0.0163 0.4024 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.0985 0.0942
Plasmodium vivax unspecified product 0.0036 0.0048 0.0336
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.2493 0.6197
Plasmodium falciparum cysteine proteinase falcipain 3 0.0066 0.0985 1
Brugia malayi Papain family cysteine protease containing protein 0.0066 0.0985 0.1429
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4327 0.5
Brugia malayi Papain family cysteine protease containing protein 0.0036 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0046 0.0346 0.0487
Brugia malayi Pre-SET motif family protein 0.0251 0.6807 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0042 0.0039
Onchocerca volvulus 0.0066 0.0985 0.1231
Trypanosoma cruzi cysteine peptidase, putative 0.017 0.4246 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0036 0.0048 0.0081

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 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) 3.5481 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 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) 18.8876 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 (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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 (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

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