Detailed information for compound 1413517

Basic information

Technical information
  • TDR Targets ID: 1413517
  • Name: 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-car baldehyde
  • MW: 273.353 | Formula: C14H15N3OS
  • H donors: 0 H acceptors: 2 LogP: 2.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1cnc(s1)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C14H15N3OS/c18-11-13-10-15-14(19-13)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
  • InChiKey: IVISAIXHEPBZAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-phenylpiperazin-1-yl)thiazole-5-carbaldehyde
  • 2-(4-phenyl-1-piperazinyl)-5-thiazolecarboxaldehyde
  • Oprea1_449736
  • 11N-091
  • ZINC01386801
  • 2-(4-phenylpiperazino)-1,3-thiazole-5-carbaldehyde
  • MLS000721726
  • SMR000335195

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0214 0.0782 0.8667
Brugia malayi Protein kinase domain containing protein 0.0036 0.003 0.0144
Trichomonas vaginalis AGC family protein kinase 0.0243 0.0902 1
Schistosoma mansoni serine/threonine protein kinase 0.0242 0.0896 0.2647
Echinococcus granulosus protein kinase c eta type 0.0177 0.0625 0.1846
Echinococcus multilocularis cyclin dependent kinase 5 0.0051 0.0094 0.0234
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0074 0.0191 0.2107
Loa Loa (eye worm) phosphatidylinositol 3 0.0264 0.0991 0.0991
Echinococcus multilocularis protein kinase c epsilon type 0.05 0.1982 0.4958
Echinococcus granulosus mitogen activated protein kinase 0.0059 0.0128 0.0378
Echinococcus multilocularis Diacylglycerol kinase theta 0.0177 0.0625 0.1561
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.0128 0.1572
Echinococcus granulosus tyrosine kinase 0.0065 0.0155 0.0459
Schistosoma mansoni serine/threonine protein kinase 0.0243 0.0902 0.2667
Brugia malayi C1-like domain containing protein 0.0184 0.0655 0.3301
Schistosoma mansoni hypothetical protein 0.0177 0.0625 0.1846
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0316 0.3501
Echinococcus granulosus protein kinase c epsilon type 0.05 0.1982 0.5859
Loa Loa (eye worm) hypothetical protein 0.2165 0.8984 0.8984
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0316 0.0935
Brugia malayi RhoGEF domain containing protein 0.0177 0.0625 0.3147
Echinococcus multilocularis Protein kinase C, brain isozyme 0.072 0.2909 0.7277
Echinococcus multilocularis tyrosine protein kinase shark 0.0253 0.0945 0.2363
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0084 0.0235 0.0695
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0094 0.1037
Brugia malayi Variant SH3 domain containing protein 0.0038 0.0041 0.0201
Loa Loa (eye worm) hypothetical protein 0.0143 0.0482 0.0482
Onchocerca volvulus 0.0142 0.0475 0.0498
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0036 0.003 0.0071
Echinococcus multilocularis serine:threonine protein kinase N2 0.0312 0.1193 0.2984
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0188 0.0469
Schistosoma mansoni growth factor receptor-bound protein 0.0038 0.0041 0.012
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0065 0.0155 0.0386
Loa Loa (eye worm) TK protein kinase 0.0065 0.0155 0.0155
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0177 0.0625 0.0625
Echinococcus granulosus cyclin dependent kinase 1 0.0051 0.0094 0.0279
Echinococcus multilocularis NCK adaptor protein 0.0038 0.0041 0.01
Brugia malayi Ras association domain family 1 isoform A 0.0177 0.0625 0.3147
Echinococcus granulosus tyrosine protein kinase Lyn 0.0087 0.0244 0.072
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0243 0.0902 0.0902
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0188 0.2093
Entamoeba histolytica protein kinase, putative 0.0242 0.0896 0.9935
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0038 0.0041 0.0041
Schistosoma mansoni atypical protein kinase C 0.0419 0.164 0.4848
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0316 0.3902
Echinococcus granulosus growth factor receptor bound protein 2 0.0038 0.0041 0.012
Echinococcus granulosus tyrosine protein kinase Src64B 0.0079 0.0213 0.063
Schistosoma mansoni vav2 0.0203 0.0733 0.2167
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0051 0.0094 0.0094
Echinococcus granulosus cyclin dependent kinase 5 0.0051 0.0094 0.0279
Schistosoma mansoni protein kinase C 0.0188 0.0669 0.1977
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0291 0.1104 0.2761
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 0.0213 0.0531
Brugia malayi Sex muscle abnormal protein 5 0.0038 0.0041 0.0201
Brugia malayi SH2 domain containing protein 0.0036 0.003 0.0144
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0188 0.0669 0.1672
Trichomonas vaginalis AGC family protein kinase 0.0243 0.0902 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0079 0.0213 0.0531
Echinococcus granulosus tyrosine protein kinase ABL1 0.0036 0.003 0.0087
Echinococcus granulosus N chimaerin 0.0202 0.0727 0.215
Brugia malayi Tyrosine-protein kinase abl-1 0.0049 0.0088 0.0437
Plasmodium vivax protein kinase Crk2 0.0051 0.0094 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0065 0.0155 0.0386
Brugia malayi RhoGAP domain containing protein 0.0177 0.0625 0.3147
Echinococcus multilocularis RNA directed DNA polymerase 0.0291 0.1104 0.2761
Schistosoma mansoni serine/threonine protein kinase 0.0156 0.0537 0.1586
Echinococcus granulosus tyrosine protein kinase Src42A 0.0079 0.0213 0.063
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0051 0.0094 0.2961
Schistosoma mansoni protein kinase C mu 0.0184 0.0655 0.1936
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0184 0.0655 0.3301
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0074 0.0191 0.2107
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Entamoeba histolytica protein kinase, putative 0.0243 0.0902 1
Trypanosoma brucei polo-like protein kinase 0.0104 0.0316 0.3501
Brugia malayi Protein kinase domain containing protein 0.0036 0.003 0.0144
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0079 0.0213 0.063
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Trypanosoma brucei cdc2-related kinase 1 0.0051 0.0094 0.1037
Schistosoma mansoni unc-13 (munc13) 0.0188 0.0669 0.1977
Echinococcus granulosus Diacylglycerol kinase theta 0.0177 0.0625 0.1846
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.0316 0.0789
Entamoeba histolytica protein kinase, putative 0.0041 0.0052 0.0572
Loa Loa (eye worm) hypothetical protein 0.0038 0.0041 0.0041
Echinococcus multilocularis cyclin dependent kinase 1 0.0051 0.0094 0.0234
Entamoeba histolytica cell division protein kinase 2, putative 0.0051 0.0094 0.1037
Toxoplasma gondii AGC kinase 0.0242 0.0896 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0242 0.0896 0.4516
Echinococcus granulosus tyrosine protein kinase HCK 0.0041 0.0052 0.0155
Echinococcus multilocularis mitogen activated protein kinase 0.0059 0.0128 0.0318
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0221 0.0809 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 0.0213 0.063
Trichomonas vaginalis AGC family protein kinase 0.0242 0.0896 0.9935
Trypanosoma brucei cdc2-related kinase 3 0.0051 0.0094 0.1037
Echinococcus granulosus RNA directed DNA polymerase 0.0291 0.1104 0.3263
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0051 0.0094 0.0094
Echinococcus multilocularis cyclin dependent kinase 1 0.0051 0.0094 0.0234
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0202 0.0727 0.215
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0471 0.186 0.186
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0111 0.1217
Echinococcus multilocularis unc 13 (munc13) 0.0188 0.0669 0.1672
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0316 0.3501
Echinococcus granulosus Protein kinase C brain isozyme 0.072 0.2909 0.8597
Brugia malayi protein kinase C3,putative 0.0184 0.0655 0.3301
Trypanosoma brucei protein kinase, putative 0.0059 0.0128 0.1411
Entamoeba histolytica hypothetical protein 0.0177 0.0625 0.6925
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0188 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0049 0.0088 0.0259
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0079 0.0213 0.0531
Echinococcus granulosus cyclin dependent kinase 0.0051 0.0094 0.0279
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.0316 0.0316
Echinococcus multilocularis tyrosine protein kinase HCK 0.0041 0.0052 0.0129
Echinococcus multilocularis tyrosine kinase 0.0036 0.003 0.0071
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0029 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.0468 0.1849 0.1849
Echinococcus granulosus NCK adaptor protein 0.0038 0.0041 0.012
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 0.0213 0.0531
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0036 0.003 0.0087
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.05 0.1982 0.1982
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 0.0213 0.063
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0038 0.0041 0.0041
Echinococcus multilocularis serine:threonine protein kinase N2 0.0242 0.0896 0.2239
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0051 0.0094 0.1044
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0152 0.0518 0.5742
Echinococcus multilocularis myotubularin protein 13 0.0179 0.0631 0.1575
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0316 0.3501
Brugia malayi Protein kinase domain containing protein 0.0243 0.0902 0.4545
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0036 0.003 0.0071
Schistosoma mansoni serine/threonine protein kinase 0.0242 0.0896 0.2647
Entamoeba histolytica protein kinase, putative 0.0243 0.0902 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0079 0.0213 0.0531
Loa Loa (eye worm) hypothetical protein 0.2165 0.8984 0.8984
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0242 0.0896 0.2647
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0316 0.3902
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0036 0.003 0.0317
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0029 0.0001 0.0001
Brugia malayi Protein kinase domain containing protein 0.0036 0.003 0.0144
Trichomonas vaginalis AGC family protein kinase 0.0243 0.0902 1
Onchocerca volvulus 0.0177 0.0625 0.0665
Trypanosoma brucei rac serine-threonine kinase, putative 0.0243 0.0902 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0242 0.0896 0.0896
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0128 0.1411
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.0655 0.1936
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0188 0.5
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0202 0.0727 0.215
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0242 0.0896 0.2239
Brugia malayi Protein kinase domain containing protein 0.0036 0.003 0.0144
Brugia malayi MAP kinase sur-1 0.0059 0.0128 0.0641
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.0316 1
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0221 0.0809 1
Onchocerca volvulus 0.0188 0.0669 0.0714
Trypanosoma cruzi cdc2-related kinase 3 0.0051 0.0094 0.1156
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0221 0.0809 0.8973
Schistosoma mansoni tyrosine kinase 0.0079 0.0213 0.063
Brugia malayi Immunoglobulin I-set domain containing protein 0.0181 0.0642 0.3235
Schistosoma mansoni kinase 0.0056 0.0116 0.0343
Onchocerca volvulus 0.0156 0.0537 0.0567
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0051 0.0094 0.0279
Loa Loa (eye worm) hypothetical protein 0.0179 0.0631 0.0631
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0143 0.0482 0.1424
Echinococcus multilocularis mitogen activated protein kinase 3 0.0059 0.0128 0.0318
Toxoplasma gondii diacylglycerol kinase, putative 0.0177 0.0625 0.697
Entamoeba histolytica diacylglycerol kinase, putative 0.0177 0.0625 0.6925
Schistosoma mansoni tyrosine kinase 0.0049 0.0088 0.0259
Trichomonas vaginalis AGC family protein kinase 0.0242 0.0896 0.9935
Schistosoma mansoni growth factor receptor-bound protein 0.0038 0.0041 0.012
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3384 0.8465
Plasmodium falciparum protein kinase 5 0.0051 0.0094 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0316 0.3501
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0059 0.0128 0.1411
Echinococcus multilocularis tyrosine protein kinase Srms 0.0065 0.0155 0.0386
Schistosoma mansoni serine/threonine protein kinase 0.072 0.2909 0.8597
Trichomonas vaginalis AGC family protein kinase 0.0243 0.0902 1
Schistosoma mansoni tyrosine kinase 0.0253 0.0945 0.2794
Loa Loa (eye worm) SRC-1 0.0079 0.0213 0.0213
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0242 0.0896 0.2647
Brugia malayi SH2 domain containing protein 0.0036 0.003 0.0144
Brugia malayi Variant SH3 domain containing protein 0.0036 0.0033 0.0162
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0221 0.0809 0.8973
Echinococcus granulosus NDR protein kinase 0.0242 0.0896 0.2647
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0079 0.0213 0.0531
Loa Loa (eye worm) TK/ABL protein kinase 0.0036 0.003 0.003
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0074 0.0191 0.2107
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0234 0.0865 0.9598
Schistosoma mansoni tyrosine kinase 0.0049 0.0088 0.0259
Onchocerca volvulus 0.2165 0.8984 1
Brugia malayi Protein kinase domain containing protein 0.0184 0.0655 0.3301
Echinococcus multilocularis Rac GTPase activating protein 1 0.0177 0.0625 0.1561
Entamoeba histolytica hypothetical protein 0.0176 0.0619 0.6866
Schistosoma mansoni serine/threonine kinase 0.0242 0.0896 0.2647
Loa Loa (eye worm) hypothetical protein 0.0036 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0177 0.0625 0.0625
Onchocerca volvulus 0.0149 0.0506 0.0533
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0176 0.0619 0.6866
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0029 0.0001 0.0003
Schistosoma mansoni tyrosine kinase 0.0172 0.0602 0.1778
Schistosoma mansoni diacylglycerol kinase theta 0.0177 0.0625 0.1846
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0059 0.0128 0.142
Trichomonas vaginalis AGC family protein kinase 0.0243 0.0902 1
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0128 0.1411
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0242 0.0896 0.0896
Brugia malayi Protein kinase domain containing protein 0.0242 0.0896 0.4516
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0128 0.1411
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0184 0.0655 0.0655
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0184 0.0655 0.1637
Schistosoma mansoni unc-13 (munc13) 0.0188 0.0669 0.1977
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0038 0.0041 0.012
Echinococcus granulosus raf serine:threonine protein kinase 0.0402 0.1569 0.4636
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0051 0.0094 0.0094
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0079 0.0213 0.063
Echinococcus multilocularis N chimaerin 0.0202 0.0727 0.1818
Brugia malayi SRC-1 0.0079 0.0213 0.1072
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0309 0.1181 0.3491
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0309 0.1181 0.2953
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0185 0.066 0.1949
Giardia lamblia Kinase, CMGC MAPK 0.0059 0.0128 0.1439
Brugia malayi Variant SH3 domain containing protein 0.0038 0.0041 0.0201
Brugia malayi Hr1 repeat family protein 0.0242 0.0896 0.4516
Echinococcus multilocularis tyrosine protein kinase Abl 0.0049 0.0088 0.0217
Loa Loa (eye worm) hypothetical protein 0.0177 0.0625 0.0625
Loa Loa (eye worm) hypothetical protein 0.0177 0.0625 0.0625
Echinococcus granulosus tyrosine protein kinase Blk 0.0065 0.0155 0.0459
Trypanosoma cruzi cdc2-related kinase 1 0.0051 0.0094 0.1156
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0221 0.0809 0.8973
Loa Loa (eye worm) AGC/PKN protein kinase 0.0242 0.0896 0.0896
Brugia malayi RhoGAP domain containing protein 0.0202 0.0727 0.3666
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0059 0.0128 0.1572
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0143 0.0482 0.1203
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0029 0.0001 0.0003
Brugia malayi Protein kinase domain containing protein 0.0051 0.0094 0.0471
Echinococcus multilocularis serine threonine protein kinase 0.0543 0.2164 0.5414
Entamoeba histolytica cell division protein kinase 2, putative 0.0051 0.0094 0.1037
Loa Loa (eye worm) AGC/AKT protein kinase 0.0243 0.0902 0.0902
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0316 0.3501
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3997 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 0.0213 0.0531
Schistosoma mansoni serine/threonine protein kinase 0.0242 0.0896 0.2647
Echinococcus granulosus myotubularin protein 13 0.0179 0.0631 0.1863
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0136 0.0452 0.0452
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0029 0.0001 0.0003
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 0.0213 0.063
Brugia malayi Protein kinase domain containing protein 0.0471 0.186 0.938
Entamoeba histolytica diacylglycerol kinase, putative 0.0177 0.0625 0.6925
Echinococcus multilocularis raf serine:threonine protein kinase 0.0402 0.1569 0.3923
Schistosoma mansoni serine/threonine protein kinase 0.072 0.2909 0.8597
Loa Loa (eye worm) hypothetical protein 0.0177 0.0625 0.0625
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0316 0.3501
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0242 0.0896 0.2239
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0094 0.0279
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0074 0.0191 0.2107
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.0316 0.032
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0188 0.5938
Echinococcus granulosus unc 13 munc13 0.0188 0.0669 0.1977
Loa Loa (eye worm) hypothetical protein 0.2342 0.9729 0.9729
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0074 0.0191 0.0958
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0094 0.0279
Schistosoma mansoni serine/threonine protein kinase 0.05 0.1982 0.5859
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0184 0.0655 0.0655
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0059 0.0128 0.4029
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0202 0.0727 0.0727
Brugia malayi cell division control protein 2 homolog 0.0051 0.0094 0.0471
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0152 0.0518 0.5742
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0111 0.1217
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0074 0.0191 0.2107
Onchocerca volvulus 0.0179 0.0631 0.0671
Echinococcus granulosus serine:threonine protein kinase N2 0.0078 0.0208 0.0614
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.0292 0.3231
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.0128 0.1572
Loa Loa (eye worm) TK protein kinase 0.0041 0.0052 0.0052
Loa Loa (eye worm) raf kinase 0.0391 0.1522 0.1522
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0184 0.0655 0.1936
Loa Loa (eye worm) hypothetical protein 0.0188 0.0669 0.0669
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0202 0.0727 0.1818
Brugia malayi protein kinase C II. 0.05 0.1982 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0107 0.0328 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.001 0.001
Echinococcus granulosus tyrosine protein kinase Src42A 0.0054 0.0108 0.0321
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.0655 0.1936
Loa Loa (eye worm) hypothetical protein 0.0031 0.001 0.001
Echinococcus granulosus serine:threonine protein kinase N2 0.0242 0.0896 0.2647
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0054 0.0108 0.0269
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0036 0.0033 0.0033
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0242 0.0896 0.2239
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0188 0.5
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0202 0.0727 0.215
Loa Loa (eye worm) hypothetical protein 0.0177 0.0625 0.0625
Echinococcus multilocularis cyclin dependent kinase 0.0051 0.0094 0.0234
Brugia malayi Variant SH3 domain containing protein 0.0202 0.0727 0.3666
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0309 0.1179 0.1179
Loa Loa (eye worm) hypothetical protein 0.0177 0.0625 0.0625
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0079 0.0213 0.0531
Brugia malayi protein-tyrosine kinase 0.0065 0.0155 0.0779
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0094 0.1037
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0154 0.0526 0.265
Echinococcus multilocularis protein kinase c iota type 0.0419 0.164 0.4103
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0188 0.0556
Echinococcus granulosus twitchin 0.0035 0.0028 0.0081
Echinococcus multilocularis rho associated protein kinase 0.0156 0.0537 0.1341
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.0316 0.0935
Entamoeba histolytica protein kinase, putative 0.0032 0.0013 0.0134
Trichomonas vaginalis AGC family protein kinase 0.0243 0.0902 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0242 0.0896 0.2239
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3384 1
Onchocerca volvulus Tyrosine kinase homolog 0.0155 0.0532 0.0561
Loa Loa (eye worm) hypothetical protein 0.0044 0.0064 0.0064
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0074 0.0191 0.2348
Brugia malayi Protein kinase domain containing protein 0.0242 0.0896 0.4516
Echinococcus granulosus Rac GTPase activating protein 1 0.0177 0.0625 0.1846
Brugia malayi Protein kinase domain containing protein 0.0036 0.003 0.0144
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0243 0.0902 0.2255
Schistosoma mansoni tyrosine kinase 0.0079 0.0213 0.063
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.0316 0.3501
Loa Loa (eye worm) phosphatidylinositol 3 0.0067 0.0163 0.0163
Schistosoma mansoni adapter molecule crk 0.0038 0.0041 0.012
Echinococcus granulosus c-Jun N-terminal kinases 0.0243 0.0902 0.2667
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0188 0.0669 0.1977
Loa Loa (eye worm) RasGEF domain-containing protein 0.0177 0.0625 0.0625
Schistosoma mansoni nck2/grb4 0.0038 0.0041 0.012
Echinococcus granulosus protein kinase c iota type 0.0419 0.164 0.4848
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0128 0.1411
Echinococcus multilocularis growth factor receptor bound protein 2 0.0038 0.0041 0.01
Echinococcus granulosus roundabout 2 0.0031 0.001 0.003
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0316 0.3501
Schistosoma mansoni rac gtpase activating protein 0.0177 0.0625 0.1846
Loa Loa (eye worm) AGC/NDR protein kinase 0.0242 0.0896 0.0896
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0059 0.0128 0.1572
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0078 0.0207 0.0207
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Echinococcus multilocularis protein kinase c eta type 0.0177 0.0625 0.1561
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0181 0.0642 0.0642
Echinococcus granulosus rho-associated protein kinase 1 0.0156 0.0537 0.1586
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0221 0.0809 0.4079
Echinococcus granulosus protein kinase C gamma type 0.0543 0.2164 0.6396
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.0316 0.1591
Echinococcus multilocularis c src tyrosine kinase 0.0049 0.0088 0.0217
Schistosoma mansoni diacylglycerol kinase theta 0.0177 0.0625 0.1846
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0059 0.0128 0.0128
Trichomonas vaginalis AGC family protein kinase 0.0243 0.0902 1
Brugia malayi diacylglycerol kinase 0.0177 0.0625 0.3147
Trichomonas vaginalis AGC family protein kinase 0.0243 0.0902 1
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0128 0.0378
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0032 0.0013 0.0134
Brugia malayi Protein kinase c protein 2 0.0486 0.1924 0.9703
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3384 1
Echinococcus granulosus c src tyrosine kinase 0.0049 0.0088 0.0259
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0242 0.0896 0.0896
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0221 0.0809 0.8973
Brugia malayi diacylglycerol kinase 0.0177 0.0625 0.3147
Giardia lamblia Kinase, PLK 0.0104 0.0316 0.9486
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0188 0.0556
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0179 0.0631 0.0631
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0074 0.0191 0.2107
Loa Loa (eye worm) hypothetical protein 0.0291 0.1104 0.1104
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0309 0.1181 0.3491
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0079 0.0213 0.0531
Schistosoma mansoni tyrosine kinase 0.0229 0.0842 0.249
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0052 0.0097 0.0122
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0188 0.0556
Schistosoma mansoni protein kinase C mu 0.0177 0.0625 0.1846
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0059 0.0128 0.4029
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0177 0.0625 0.0625
Trypanosoma cruzi cdc2-related kinase 3 0.0051 0.0094 0.1156
Schistosoma mansoni serine/threonine protein kinase 0.0242 0.0896 0.2647
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0177 0.0625 0.0625
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0242 0.0896 0.0896
Brugia malayi Pleckstrin Homology Domain 0.0179 0.0631 0.3177
Echinococcus granulosus tyrosine protein kinase Srms 0.0036 0.003 0.0087
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0188 0.5
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0185 0.066 0.1648
Echinococcus multilocularis roundabout 2 0.0031 0.001 0.0023
Schistosoma mansoni serine/threonine protein kinase 0.0402 0.1569 0.4636
Brugia malayi hypothetical protein 0.0036 0.003 0.0144
Trypanosoma cruzi cdc2-related kinase 1 0.0051 0.0094 0.1156
Brugia malayi Stress-activated protein kinase jnk-1 0.0243 0.0902 0.4549
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0051 0.0094 0.2961
Echinococcus granulosus mitogen activated protein kinase 3 0.0059 0.0128 0.0378
Entamoeba histolytica PH domain containing protein kinase, putative 0.0079 0.0214 0.2363
Entamoeba histolytica protein kinase, putative 0.0242 0.0896 0.9935
Echinococcus granulosus tyrosine kinase 0.0036 0.003 0.0087
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0094 0.1037
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0088 0.0252 0.1267
Loa Loa (eye worm) hypothetical protein 0.2165 0.8984 0.8984
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0067 0.0163 0.2008
Trichomonas vaginalis AGC family protein kinase 0.0242 0.0896 0.9935
Echinococcus granulosus tyrosine protein kinase shark 0.0253 0.0945 0.2794
Loa Loa (eye worm) TK/FER protein kinase 0.0036 0.003 0.003
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0242 0.0896 0.2647
Brugia malayi Raf kinase 0.0225 0.0824 0.4153
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0065 0.0155 0.0459

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 11.5774 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (binding) = 19.9526 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 (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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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