Detailed information for compound 1204491

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 510.541 | Formula: C29H26N4O5
  • H donors: 1 H acceptors: 2 LogP: 4.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C1=NOC(C1)Cn1nc(cc1c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C29H26N4O5/c1-35-22-10-8-20(9-11-22)24-14-23(38-32-24)17-33-26(21-5-3-2-4-6-21)15-25(31-33)29(34)30-16-19-7-12-27-28(13-19)37-18-36-27/h2-13,15,23H,14,16-18H2,1H3,(H,30,34)
  • InChiKey: XFLKYGAEYPGQNQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0117 0.0163
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.1471 0.1471
Entamoeba histolytica serine/threonine protein kinase, putative 0.0109 0.5041 0.6816
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0556 0.0556
Echinococcus granulosus dna polymerase kappa 0.0023 0.0556 0.0556
Trypanosoma brucei unspecified product 0.0016 0.0179 0.0249
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.202 0.202
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0556 0.0773
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0015 0.0117 0.0163
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0015 0.0117 0.0191
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.64 0.8904
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Onchocerca volvulus Serine\/threonine kinase homolog 0.0109 0.5041 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.202 0.202
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0151 0.7189 0.7189
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.202 0.202
Toxoplasma gondii NADPH-glutathione reductase 0.0015 0.0117 0.0191
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0117 0.0163
Echinococcus multilocularis thioredoxin glutathione reductase 0.0044 0.1608 0.1608
Loa Loa (eye worm) hypothetical protein 0.0041 0.1485 0.2066
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0443 0.0616
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2478 0.3446
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1605 0.1605
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2478 0.3446
Trypanosoma cruzi polo-like protein kinase, putative 0.0109 0.5041 0.7012
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0015 0.0117 0.0191
Toxoplasma gondii exonuclease III APE 0.0021 0.0443 0.0723
Schistosoma mansoni hypothetical protein 0.0041 0.1485 0.1485
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0443 0.0879
Trypanosoma brucei polo-like protein kinase 0.0109 0.5041 0.7012
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.013 0.6126 1
Giardia lamblia PHD finger protein 15 0.0034 0.1101 0.1998
Echinococcus multilocularis geminin 0.0205 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.202 0.2809
Trypanosoma cruzi trypanothione reductase, putative 0.0015 0.0117 0.0163
Brugia malayi jmjC domain containing protein 0.0041 0.1471 0.2046
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.5041 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0151 0.7189 0.7189
Trypanosoma cruzi polo-like protein kinase, putative 0.0109 0.5041 0.7012
Loa Loa (eye worm) hypothetical protein 0.0058 0.2357 0.3279
Echinococcus granulosus transcription factor Dp 1 0.0087 0.3884 0.3884
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2478 0.3446
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.202 0.202
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0117 0.0163
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0105 0.4812 0.7855
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0015 0.0117 0.0117
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0556 0.0773
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0443 0.0723
Trypanosoma cruzi trypanothione reductase, putative 0.0043 0.1578 0.2196
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0443 1
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.1101 0.1531
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1485 0.2066
Loa Loa (eye worm) thioredoxin reductase 0.0043 0.1578 0.2196
Toxoplasma gondii thioredoxin reductase 0.0043 0.1578 0.2577
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.1101 0.1101
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.64 0.8904
Schistosoma mansoni hypothetical protein 0.0034 0.1101 0.1101
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0015 0.0117 0.0163
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0015 0.0117 0.0163
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.5041 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0117 0.0163
Entamoeba histolytica hypothetical protein 0.0043 0.1605 0.1723
Plasmodium falciparum glutathione reductase 0.0043 0.1578 0.2577
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0556 0.0556
Schistosoma mansoni hypothetical protein 0.013 0.6126 0.6126
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0556 1
Leishmania major trypanothione reductase 0.0043 0.1578 0.2196
Toxoplasma gondii TIM10 family protein, putative 0.0105 0.4812 0.7855
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0105 0.4812 0.6694
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0443 0.0443
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0443 0.0723
Schistosoma mansoni hypothetical protein 0.0205 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0109 0.5041 0.7012
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0105 0.4812 0.7855
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0556 0.1103
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0151 0.7189 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0109 0.5041 0.7012
Plasmodium falciparum glutathione reductase 0.0015 0.0117 0.0191
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.5041 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0015 0.0117 0.0163
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0334 0.0334
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0151 0.7189 0.7189
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0179 0.0249
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.2163 0.4291
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0556 0.0556
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.1471 0.2046
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0443 0.0666
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0179 0.0249
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0443 0.0662
Echinococcus granulosus jumonji domain containing protein 0.0047 0.179 0.179
Plasmodium vivax glutathione reductase, putative 0.0043 0.1578 0.2577
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0117 0.0117
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0556 0.0773
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0556 0.0773
Schistosoma mansoni serine/threonine protein kinase 0.0109 0.5041 0.5041
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0111 0.5103 0.5103
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0098 0.4444 0.8837
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0556 0.0773
Giardia lamblia DINP protein human, muc B family 0.0023 0.0556 0.0891
Echinococcus granulosus peregrin 0.0034 0.1101 0.1101
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Entamoeba histolytica hypothetical protein 0.0043 0.1605 0.1723
Plasmodium vivax thioredoxin reductase, putative 0.0043 0.1578 0.2577
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0443 0.0616
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0443 0.0616
Mycobacterium tuberculosis Probable reductase 0.0098 0.4444 0.8837
Schistosoma mansoni hypothetical protein 0.0019 0.0334 0.0334
Entamoeba histolytica hypothetical protein 0.0043 0.1605 0.1723
Echinococcus multilocularis expressed protein 0.0105 0.4812 0.4812
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0151 0.7189 1
Giardia lamblia Kinase, PLK 0.0109 0.5041 1
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.5041 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0556 0.0773
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0105 0.4812 0.7855
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0556 0.0773
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.202 0.202
Brugia malayi Thioredoxin reductase 0.0043 0.1578 0.2196
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.179 0.179
Leishmania major DNA polymerase eta, putative 0.0023 0.0556 0.0773
Plasmodium falciparum phd finger protein, putative 0.0034 0.1101 0.1797
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0556 0.0167
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0443 0.0616
Loa Loa (eye worm) hypothetical protein 0.0023 0.0556 0.0773
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0105 0.4812 0.4812
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0015 0.0117 0.0191
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0015 0.0117 0.0163
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0015 0.0117 0.0163
Brugia malayi PHD-finger family protein 0.0034 0.1101 0.1531
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.1471 0.1471
Brugia malayi hypothetical protein 0.0043 0.1605 0.2232
Onchocerca volvulus Alhambra homolog 0.0034 0.1101 0.2184
Loa Loa (eye worm) hypothetical protein 0.013 0.6126 0.8522
Brugia malayi serine/threonine-protein kinase plk-2 0.0109 0.5041 0.7012
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0015 0.0117 0.0163
Loa Loa (eye worm) glutathione reductase 0.0043 0.1578 0.2196
Echinococcus multilocularis GPCR, family 2 0.0019 0.0334 0.0334
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0151 0.7189 1
Trypanosoma brucei unspecified product 0.0016 0.0179 0.0249
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.5041 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0179 0.0249
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0151 0.7189 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.1101 0.1101
Loa Loa (eye worm) hypothetical protein 0.006 0.2478 0.3446
Loa Loa (eye worm) hypothetical protein 0.0034 0.1101 0.1531
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.1101 0.1797
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0443 0.0616
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0151 0.7189 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0443 0.0616
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.1471 0.1471
Mycobacterium tuberculosis Probable oxidoreductase 0.0109 0.5013 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Schistosoma mansoni hypothetical protein 0.0019 0.0334 0.0334
Brugia malayi jmjC domain containing protein 0.0111 0.5103 0.7098
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0109 0.5013 1
Plasmodium vivax hypothetical protein, conserved 0.0034 0.1101 0.1797
Echinococcus granulosus dna polymerase eta 0.0023 0.0556 0.0556
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0151 0.7189 1
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.5041 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0556 0.0896
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.202 0.202
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0117 0.0117
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0334 0.0334
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0334 0.0334
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.013 0.6126 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1605 0.1605
Schistosoma mansoni ap endonuclease 0.0021 0.0443 0.0443
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.1101 0.1101
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0098 0.4444 0.8837
Loa Loa (eye worm) hypothetical protein 0.0019 0.0334 0.0465
Schistosoma mansoni ap endonuclease 0.0021 0.0443 0.0443
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0043 0.1578 0.2985
Brugia malayi glutathione reductase 0.0043 0.1578 0.2196
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.013 0.6126 0.8522
Trichomonas vaginalis glutathione reductase, putative 0.0015 0.0117 0.0232
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0334 0.0465
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.013 0.6126 0.8522
Entamoeba histolytica hypothetical protein 0.0043 0.1605 0.1723
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0117 0.0163
Echinococcus multilocularis peregrin 0.0034 0.1101 0.1101
Echinococcus granulosus expressed protein 0.0105 0.4812 0.4812
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.1101 0.1797
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.013 0.6126 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0098 0.4444 0.8837
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0334 0.0465
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0015 0.0117 0.0163
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0443 0.7427
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0098 0.4444 0.8837
Trichomonas vaginalis mercuric reductase, putative 0.0015 0.0117 0.0232
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0117 0.0163
Schistosoma mansoni hypothetical protein 0.0019 0.0334 0.0334
Echinococcus multilocularis dna polymerase eta 0.0023 0.0556 0.0556
Schistosoma mansoni hypothetical protein 0.0043 0.1605 0.1605
Brugia malayi hypothetical protein 0.0118 0.5468 0.7606
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.2974 0.4137
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0.0117 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0087 0.3884 0.3884
Schistosoma mansoni jumonji domain containing protein 0.0088 0.3919 0.3919
Trichomonas vaginalis CAMK family protein kinase 0.0109 0.5041 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0556 0.1103
Brugia malayi hypothetical protein 0.0118 0.5468 0.7606
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0117 0.0163
Brugia malayi MH2 domain containing protein 0.0136 0.64 0.8904
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0556 0.0773
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0015 0.0117 0.0191
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0334 0.0334
Plasmodium falciparum thioredoxin reductase 0.0043 0.1578 0.2577
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0015 0.0117 0.0163
Leishmania major DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.2163 0.4291
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0556 0.0773
Plasmodium falciparum thioredoxin reductase 0.0015 0.0117 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Echinococcus granulosus GPCR family 2 0.0019 0.0334 0.0334
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0109 0.5013 1
Trypanosoma brucei trypanothione reductase 0.0043 0.1578 0.2196
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.013 0.6126 0.8522
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0556 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.202 0.202
Brugia malayi Bromodomain containing protein 0.0034 0.1101 0.1531
Schistosoma mansoni hypothetical protein 0.0019 0.0334 0.0334
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0015 0.0117 0.0191
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0015 0.0117 0.0163
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0109 0.5041 0.5041
Trypanosoma brucei unspecified product 0.0023 0.0556 0.0773
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0556 0.0896
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.1471 0.1471
Mycobacterium tuberculosis Probable dehydrogenase 0.0098 0.4444 0.8837
Schistosoma mansoni DNA polymerase eta 0.0023 0.0556 0.0556
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0334 0.0465
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0443 0.0879
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0443 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Schistosoma mansoni kinase 0.0056 0.2238 0.2238
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0109 0.5041 0.5041
Echinococcus granulosus thioredoxin glutathione reductase 0.0044 0.1608 0.1608
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0556 0.0556
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0105 0.4812 0.6694
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.202 0.2809
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0151 0.7189 1
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.013 0.6126 0.6126
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1605 0.1605
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0556 0.0773
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0109 0.5013 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0443 0.0443
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0111 0.5103 0.5103
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0556 0.0556

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 31.6228 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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