Detailed information for compound 1336440

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.318 | Formula: C19H16BrN3O3S
  • H donors: 2 H acceptors: 4 LogP: 2.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)NCc1cccnc1
  • InChi: 1S/C19H16BrN3O3S/c20-16-6-8-18(9-7-16)27(25,26)23-17-5-1-4-15(11-17)19(24)22-13-14-3-2-10-21-12-14/h1-12,23H,13H2,(H,22,24)
  • InChiKey: QVENSBFLHWXJGB-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 ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0124 0.0471
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0124 1
Trypanosoma brucei hypothetical protein, conserved 0.0031 0.0124 1
Echinococcus multilocularis geminin 0.0205 0.1933 0.1932
Loa Loa (eye worm) hypothetical protein 0.0031 0.0124 0.0344
Brugia malayi mbt repeat family protein 0.0044 0.026 0.0719
Onchocerca volvulus 0.0365 0.3603 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0038 0.3069
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0052 0.0345 0.1782
Brugia malayi tumor suppressor. 0.0296 0.2889 0.8018
Schistosoma mansoni hypothetical protein 0.0272 0.2633 1
Brugia malayi RNA recognition motif domain containing protein 0.0054 0.0368 0.1021
Loa Loa (eye worm) beta-lactamase 0.0031 0.0124 0.0344
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0081 0.065 0.1804
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0031 0.0124 0.0344
Brugia malayi beta-lactamase family protein 0.0031 0.0124 0.0342
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0055 0.0375 0.1937
Schistosoma mansoni ap endonuclease 0.0023 0.0038 0.0146
Mycobacterium tuberculosis Probable hydrolase 0.0031 0.0124 0.0663
Trichomonas vaginalis penicillin-binding protein, putative 0.0031 0.0124 1
Echinococcus multilocularis protein quaking 0.0025 0.0063 0.0062
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.005 0.0323 0.0323
Mycobacterium ulcerans hypothetical protein 0.0031 0.0124 0.2788
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0081 0.065 0.3361
Echinococcus multilocularis histone acetyltransferase MYST2 0.005 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0031 0.0124 0.0344
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0081 0.065 0.0649
Mycobacterium leprae conserved hypothetical protein 0.0031 0.0124 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0031 0.0124 0.0638
Echinococcus granulosus fetal alzheimer antigen falz 0.0021 0.0018 0.0092
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0081 0.065 0.0649
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0124 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0124 0.0344
Echinococcus multilocularis SAM and MBT domain containing protein 0.0044 0.026 0.0259
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0141 0.0141
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0368 0.1399
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0038 0.0204
Echinococcus granulosus geminin 0.0205 0.1933 1
Schistosoma mansoni hypothetical protein 0.007 0.0535 0.2033
Echinococcus multilocularis tar DNA binding protein 0.0054 0.0368 0.0368
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0124 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0587
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0038 0.0107
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0038 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0875 0.2426
Mycobacterium tuberculosis Probable lipase LipE 0.0031 0.0124 0.0663
Schistosoma mansoni sex comb on midleg homolog 0.0044 0.026 0.0987
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0081 0.065 0.2469
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0054 0.0368 0.1023
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0124 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.026 0.0721
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0535 0.1484
Brugia malayi mbt repeat family protein 0.0044 0.026 0.0719
Trichomonas vaginalis D-aminoacylase, putative 0.0031 0.0124 1
Brugia malayi hypothetical protein 0.0025 0.0063 0.0174
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0021 0.0018 0.0018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0081 0.065 0.2469
Schistosoma mansoni myelin transcription factor 1 myt1 0.005 0.0323 0.1227
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0038 0.0038
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0141 0.0391
Echinococcus granulosus polycomb protein SCMH1 0.0044 0.026 0.1341
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0052 0.0345 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0033 0.0147 0.0146
Schistosoma mansoni hypothetical protein 0.0205 0.1933 0.7341
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0875 0.2426
Mycobacterium ulcerans aldehyde dehydrogenase 0.0052 0.0345 1
Brugia malayi Temporarily assigned gene name protein 44 0.0025 0.0063 0.0174
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0141 0.0391
Brugia malayi Bromodomain containing protein 0.0069 0.0522 0.1447
Loa Loa (eye worm) hypothetical protein 0.0031 0.0124 0.0344
Schistosoma mansoni hypothetical protein 0.0033 0.0141 0.0537
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0368 0.1399
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0038 0.3069
Loa Loa (eye worm) mbt repeat family protein 0.0044 0.026 0.0721
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0368 0.1399
Echinococcus granulosus hypothetical protein 0.0025 0.0063 0.0323
Schistosoma mansoni sex comb on midleg homolog 0.0044 0.026 0.0987
Mycobacterium tuberculosis Conserved protein 0.0031 0.0124 0.0663
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0038 0.1099
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0141 0.0141
Trichomonas vaginalis penicillin-binding protein, putative 0.0031 0.0124 1
Echinococcus granulosus tar DNA binding protein 0.0054 0.0368 0.1903
Mycobacterium leprae Probable lipase LipE 0.0031 0.0124 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0175
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0081 0.065 0.3361
Leishmania major hypothetical protein, conserved 0.0031 0.0124 0.358
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0052 0.0345 0.1853
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0368 0.1399
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0178 0.1654 0.1653
Onchocerca volvulus 0.0044 0.026 0.0391
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0044 0.026 0.0391
Echinococcus granulosus SAM and MBT domain containing protein 0.0044 0.026 0.1341
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0031 0.0124 0.0663
Echinococcus multilocularis polycomb protein SCMH1 0.0044 0.026 0.0259
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0031 0.0124 0.2788
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0368 0.1399
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0044 0.026 0.0987
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0081 0.065 0.2469
Toxoplasma gondii ABC1 family protein 0.0031 0.0124 0.358
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.0473
Loa Loa (eye worm) hypothetical protein 0.0365 0.3603 1
Schistosoma mansoni aldehyde dehydrogenase 0.0052 0.0345 0.131
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0141 0.0728
Brugia malayi TAR-binding protein 0.0054 0.0368 0.1021
Echinococcus multilocularis GPCR, family 2 0.0033 0.0141 0.0141
Schistosoma mansoni hypothetical protein 0.0205 0.1933 0.7341
Schistosoma mansoni hypothetical protein 0.0033 0.0141 0.0537
Mycobacterium tuberculosis Conserved protein 0.0031 0.0124 0.0663
Mycobacterium ulcerans aldehyde dehydrogenase 0.0052 0.0345 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0031 0.0124 0.0123
Loa Loa (eye worm) hypothetical protein 0.0103 0.0875 0.2428
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.0025 0.0063 0.024
Echinococcus granulosus GPCR family 2 0.0033 0.0141 0.0728
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0021 0.0018 0.007
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0081 0.065 0.1803
Brugia malayi beta-lactamase family protein 0.0031 0.0124 0.0342
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0038 0.5
Mycobacterium tuberculosis Conserved protein 0.0031 0.0124 0.0663
Mycobacterium ulcerans aldehyde dehydrogenase 0.0052 0.0345 1
Toxoplasma gondii aldehyde dehydrogenase 0.0052 0.0345 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0124 0.0344
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0875 0.2428
Loa Loa (eye worm) TAR-binding protein 0.0054 0.0368 0.1023
Mycobacterium ulcerans lipase LipD 0.0031 0.0124 0.2788
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0031 0.0124 0.0663
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0031 0.0124 0.0471
Mycobacterium ulcerans esterase/lipase LipP 0.0031 0.0124 0.2788
Loa Loa (eye worm) hypothetical protein 0.0031 0.0124 0.0344
Mycobacterium tuberculosis Probable esterase LipL 0.0031 0.0124 0.0663
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.005 0.0323 0.1669
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0038 1
Brugia malayi Bromodomain containing protein 0.0035 0.017 0.0469
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0038 0.0105
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0038 0.3069
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0031 0.0124 0.0342
Toxoplasma gondii exonuclease III APE 0.0023 0.0038 0.1099
Schistosoma mansoni ap endonuclease 0.0023 0.0038 0.0146
Schistosoma mansoni hypothetical protein 0.0033 0.0141 0.0537
Loa Loa (eye worm) hypothetical protein 0.0065 0.0481 0.1335
Mycobacterium tuberculosis Probable lipase LipD 0.0031 0.0124 0.0663
Loa Loa (eye worm) tumor suppressor 0.0296 0.2889 0.8019
Loa Loa (eye worm) hypothetical protein 0.0038 0.0193 0.0536
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0141 0.0392
Loa Loa (eye worm) RNA binding protein 0.0054 0.0368 0.1023
Schistosoma mansoni aldehyde dehydrogenase 0.0052 0.0345 0.131
Brugia malayi hypothetical protein 0.0365 0.3603 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0055 0.0375 0.0374
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0178 0.1654 0.8556
Echinococcus granulosus histone acetyltransferase MYST2 0.005 0.0323 0.1669
Trichomonas vaginalis esterase, putative 0.0031 0.0124 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0033 0.0147 0.0757
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0124 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0141 0.0392
Schistosoma mansoni hypothetical protein 0.0025 0.0063 0.024
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0031 0.0124 0.0663
Brugia malayi PHD-finger family protein 0.0023 0.0041 0.0112
Mycobacterium ulcerans beta-lactamase 0.0031 0.0124 0.2788
Loa Loa (eye worm) MBCTL1 0.005 0.0323 0.0897
Loa Loa (eye worm) hypothetical protein 0.005 0.0323 0.0897
Brugia malayi RNA binding protein 0.0054 0.0368 0.1021
Echinococcus granulosus protein quaking 0.0025 0.0063 0.0323
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0052 0.0345 0.0344
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0198 0.1859 1
Schistosoma mansoni bromodomain containing protein 0.0058 0.0409 0.1555
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0038 0.5
Brugia malayi beta-lactamase 0.0031 0.0124 0.0342
Schistosoma mansoni hypothetical protein 0.0033 0.0141 0.0537
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0141 0.0728
Loa Loa (eye worm) hypothetical protein 0.007 0.0535 0.1486
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0038 0.3069
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0038 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0038 0.0196
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.005 0.0323 0.0895

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.6513 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) 1.5849 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.0588 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 (functional) 2.8022 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4411 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.2733 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.4368 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 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) 35.4813 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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.
 
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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