Detailed information for compound 1444354
Basic information
Technical information
- TDR Targets ID: 1444354
- Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] benzoa te
- MW: 259.257 | Formula: C14H13NO4
-
H donors: 1
H acceptors: 2
LogP: 1.71
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(NCc1ccco1)COC(=O)c1ccccc1
- InChi: 1S/C14H13NO4/c16-13(15-9-12-7-4-8-18-12)10-19-14(17)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16)
- InChiKey: KYYBWMIQPYMZNV-UHFFFAOYSA-N
Network
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Synonyms
- [2-(2-furylmethylamino)-2-oxo-ethyl] benzoate
- benzoic acid [2-(2-furylmethylamino)-2-oxoethyl] ester
- benzoic acid [2-(2-furylmethylamino)-2-keto-ethyl] ester
- [2-(furan-2-ylmethylamino)-2-oxo-ethyl] benzoate
- Oprea1_380369
- T0507-9469
- ZINC03228059
- Enamine_002966
- MLS000082005
- SMR000061133
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lysine (K)-specific demethylase 4A | Starlite/ChEMBL | No references |
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Trypanosoma brucei gambiense | ATP-dependent phosphofructokinase,6-phospho-1-fructokinase | No references | |
| Homo sapiens | estrogen receptor 2 (ER beta) | Starlite/ChEMBL | No references |
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Trypanosoma brucei | ATP-dependent 6-phosphofructokinase, glycosomal | Starlite/ChEMBL | No references |
| Homo sapiens | polymerase (DNA directed), eta | Starlite/ChEMBL | No references |
| Homo sapiens | CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | RecQ helicase-like | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Trypanosoma brucei | TFIIF-stimulated CTD phosphatase, putative | CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 | 260 aa | 263 aa | 27.0 % |
| Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
| Loa Loa (eye worm) | hypothetical protein | estrogen receptor 2 (ER beta) | 495 aa | 418 aa | 25.8 % |
| Giardia lamblia | U5 small nuclear ribonucleoprotein 200 kDa helicase, putative | RecQ helicase-like | 649 aa | 521 aa | 19.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0035 | 0.1985 | 0.1761 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0131 | 1 | 1 |
| Schistosoma mansoni | DNA helicase recq1 | 0.0024 | 0.1021 | 0.1021 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0024 | 0.1021 | 0.077 |
| Schistosoma mansoni | 6-phosphofructokinase | 0.0131 | 1 | 1 |
| Schistosoma mansoni | nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) | 0.0015 | 0.0272 | 0.0272 |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.1021 | 0.077 |
| Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0023 | 0.0968 | 0.0968 |
| Echinococcus multilocularis | ATP dependent DNA helicase Q1 | 0.0024 | 0.1021 | 0.077 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0023 | 0.0968 | 0.0716 |
| Mycobacterium ulcerans | 6-phosphofructokinase | 0.0131 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0.0918 | 0.0665 |
| Echinococcus granulosus | ATP dependent DNA helicase Q1 | 0.0024 | 0.1021 | 0.077 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.0256 | 0.0218 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0016 | 0.0363 | 0.0094 |
| Chlamydia trachomatis | fructose-6-phosphate phosphotransferase | 0.0035 | 0.1985 | 0.5 |
| Echinococcus granulosus | DNA apurinic or apyrimidinic site lyase | 0.0023 | 0.0918 | 0.0665 |
| Brugia malayi | 6-phosphofructokinase | 0.0131 | 1 | 1 |
| Schistosoma mansoni | DNA helicase recq5 | 0.0024 | 0.1021 | 0.1021 |
| Plasmodium vivax | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.0918 | 0.4626 |
| Echinococcus granulosus | lysine specific demethylase 5A | 0.0043 | 0.2583 | 0.2376 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4068 | 0.4045 |
| Echinococcus multilocularis | Transcription factor, JmjC domain containing protein | 0.0115 | 0.8665 | 0.8628 |
| Brugia malayi | 6-phosphofructokinase | 0.0131 | 1 | 1 |
| Echinococcus granulosus | 6 phosphofructokinase | 0.0131 | 1 | 1 |
| Echinococcus multilocularis | jumonji domain containing protein | 0.0049 | 0.3117 | 0.2925 |
| Entamoeba histolytica | recQ family helicase, putative | 0.0024 | 0.1021 | 0.1021 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0035 | 0.1985 | 0.1761 |
| Trypanosoma cruzi | apurinic/apyrimidinic endonuclease, putative | 0.0023 | 0.0918 | 0.0883 |
| Trypanosoma brucei | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.1021 | 0.077 |
| Echinococcus multilocularis | terminal deoxycytidyl transferase rev1 | 0.0023 | 0.0968 | 0.0716 |
| Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.1964 | 0.1932 |
| Entamoeba histolytica | exodeoxyribonuclease III, putative | 0.0023 | 0.0918 | 0.0918 |
| Leishmania major | DNA polymerase kappa, putative,DNA polymerase IV, putative | 0.0023 | 0.0968 | 0.0716 |
| Mycobacterium tuberculosis | Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) | 0.0131 | 1 | 1 |
| Plasmodium falciparum | ATP-dependent DNA helicase Q1 | 0.0024 | 0.1021 | 0.437 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.1021 | 0.0986 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.0272 | 0.0234 |
| Schistosoma mansoni | 6-phosphofructokinase | 0.0131 | 1 | 1 |
| Schistosoma mansoni | terminal deoxycytidyl transferase | 0.0023 | 0.0968 | 0.0968 |
| Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0023 | 0.0968 | 0.0055 |
| Giardia lamblia | Sgs1 DNA helicase, putative | 0.0024 | 0.1021 | 0.437 |
| Leishmania major | ATP-dependent phosphofructokinase | 0.0131 | 1 | 1 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0.0968 | 0.0055 |
| Chlamydia trachomatis | fructose-6-phosphate phosphotransferase | 0.0035 | 0.1985 | 0.5 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0023 | 0.0918 | 0.0665 |
| Schistosoma mansoni | blooms syndrome DNA helicase | 0.0012 | 0.0039 | 0.0039 |
| Leishmania major | DNA polymerase eta, putative | 0.0054 | 0.3542 | 0.3361 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0035 | 0.1985 | 0.1761 |
| Trichomonas vaginalis | DNA polymerase eta, putative | 0.0023 | 0.0968 | 0.0716 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0016 | 0.0363 | 0.0094 |
| Toxoplasma gondii | PHD-finger domain-containing protein | 0.0035 | 0.1964 | 0.8938 |
| Leishmania major | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.1021 | 0.077 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0054 | 0.3542 | 0.3361 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0933 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0015 | 0.0272 | 0.0234 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0131 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0015 | 0.0256 | 0.0256 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0023 | 0.0968 | 0.0055 |
| Toxoplasma gondii | Dullard family phosphatase domain-containing protein | 0.0015 | 0.0272 | 0.1237 |
| Treponema pallidum | diphosphate--fructose-6-phosphate 1-phosphotransferase | 0.0131 | 1 | 1 |
| Plasmodium vivax | 6-phosphofructokinase, putative | 0.0035 | 0.1985 | 1 |
| Loa Loa (eye worm) | ATP-dependent DNA helicase | 0.0024 | 0.1021 | 0.0986 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Toxoplasma gondii | ImpB/MucB/SamB family protein | 0.0038 | 0.2197 | 1 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 0.0968 | 0.0716 |
| Echinococcus granulosus | dna polymerase eta | 0.0054 | 0.3542 | 0.3361 |
| Loa Loa (eye worm) | RecQ helicase | 0.0024 | 0.1021 | 0.0986 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Treponema pallidum | diphosphate--fructose-6-phosphate 1-phosphotransferase | 0.0035 | 0.1985 | 0.1954 |
| Echinococcus multilocularis | peregrin | 0.0035 | 0.1964 | 0.1739 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0038 | 0.2197 | 0.2167 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 0.0968 | 0.0716 |
| Leishmania major | apurinic/apyrimidinic endonuclease-redox protein | 0.0023 | 0.0918 | 0.0665 |
| Entamoeba histolytica | phosphofructokinase, putative | 0.0131 | 1 | 1 |
| Echinococcus multilocularis | PHD finger protein rhinoceros | 0.0035 | 0.1964 | 0.1739 |
| Loa Loa (eye worm) | 6-phosphofructokinase | 0.0131 | 1 | 1 |
| Onchocerca volvulus | Alhambra homolog | 0.0035 | 0.1964 | 0.5 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0035 | 0.1985 | 0.1761 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0.0918 | 0.0665 |
| Loa Loa (eye worm) | 6-phosphofructokinase | 0.0131 | 1 | 1 |
| Entamoeba histolytica | recQ family DNA helicase | 0.0012 | 0.0039 | 0.0039 |
| Schistosoma mansoni | rab geranylgeranyl transferase alpha subunit | 0.0023 | 0.0968 | 0.0968 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Plasmodium falciparum | ATP-dependent 6-phosphofructokinase | 0.0035 | 0.1985 | 1 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.1021 | 0.4645 |
| Trypanosoma brucei | unspecified product | 0.0023 | 0.0968 | 0.0716 |
| Toxoplasma gondii | phosphofructokinase PFKII | 0.0035 | 0.1985 | 0.9036 |
| Echinococcus multilocularis | dna polymerase eta | 0.0054 | 0.3542 | 0.3361 |
| Loa Loa (eye worm) | PHD-finger family protein | 0.0035 | 0.1964 | 0.1932 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Trypanosoma brucei | unspecified product | 0.0016 | 0.0363 | 0.0094 |
| Schistosoma mansoni | jumonji domain containing protein | 0.0092 | 0.6682 | 0.6682 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0035 | 0.1964 | 0.9892 |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.1021 | 0.077 |
| Plasmodium falciparum | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.0918 | 0.3773 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0131 | 1 | 1 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0043 | 0.2583 | 0.2583 |
| Echinococcus granulosus | Transcription factor JmjC domain containing protein | 0.0115 | 0.8665 | 0.8628 |
| Giardia lamblia | PHD finger protein 15 | 0.0035 | 0.1964 | 0.9875 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.1021 | 0.4645 |
| Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0024 | 0.1021 | 0.437 |
| Echinococcus multilocularis | 6 phosphofructokinase | 0.0131 | 1 | 1 |
| Toxoplasma gondii | phosphofructokinase domain-containing protein | 0.0035 | 0.1985 | 0.9036 |
| Schistosoma mansoni | nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) | 0.0015 | 0.0272 | 0.0272 |
| Giardia lamblia | DINP protein human, muc B family | 0.0023 | 0.0968 | 0.4063 |
| Echinococcus granulosus | PHD finger protein rhinoceros | 0.0035 | 0.1964 | 0.1739 |
| Plasmodium vivax | NLI interacting factor-like phosphatase, putative | 0.0015 | 0.0272 | 0.137 |
| Plasmodium vivax | 6-phosphofructokinase, putative | 0.0035 | 0.1985 | 1 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0023 | 0.0918 | 0.0883 |
| Loa Loa (eye worm) | phosphofructokinase | 0.0131 | 1 | 1 |
| Schistosoma mansoni | DNA polymerase eta | 0.0054 | 0.3542 | 0.3542 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0933 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0023 | 0.0918 | 0.0883 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0024 | 0.1021 | 0.077 |
| Trypanosoma cruzi | apurinic/apyrimidinic endonuclease | 0.0023 | 0.0918 | 0.0883 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Echinococcus multilocularis | lysine specific demethylase 5A | 0.0043 | 0.2583 | 0.2376 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 0.0968 | 0.0716 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 0.0039 | 0.00000000082886 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0016 | 0.0363 | 0.0094 |
| Echinococcus granulosus | jumonji domain containing protein | 0.0049 | 0.3117 | 0.2925 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Brugia malayi | jmjC domain containing protein | 0.0043 | 0.2583 | 0.2376 |
| Trypanosoma cruzi | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.1021 | 0.0986 |
| Trypanosoma cruzi | ATP-dependent 6-phosphofructokinase, glycosomal | 0.0131 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | exonuclease III | 0.0023 | 0.0918 | 0.5 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0933 |
| Brugia malayi | Bloom's syndrome protein homolog | 0.0024 | 0.1021 | 0.077 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0.0968 | 0.0055 |
| Schistosoma mansoni | bromodomain-containing nuclear protein 1 brd1 | 0.0035 | 0.1964 | 0.1964 |
| Echinococcus granulosus | terminal deoxycytidyl transferase rev1 | 0.0023 | 0.0968 | 0.0716 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0023 | 0.0918 | 0.3773 |
| Mycobacterium leprae | PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) | 0.0131 | 1 | 0.5 |
| Plasmodium falciparum | phd finger protein, putative | 0.0035 | 0.1964 | 0.9875 |
| Loa Loa (eye worm) | ImpB/MucB/SamB family protein | 0.0023 | 0.0968 | 0.0933 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0043 | 0.2583 | 0.2555 |
| Leishmania major | DNA polymerase eta, putative | 0.0038 | 0.2197 | 0.1979 |
| Echinococcus multilocularis | DNA (apurinic or apyrimidinic site) lyase | 0.0023 | 0.0918 | 0.0665 |
| Trichomonas vaginalis | DNA helicase recq1, putative | 0.0024 | 0.1021 | 0.077 |
| Trypanosoma brucei | apurinic/apyrimidinic endonuclease, putative | 0.0023 | 0.0918 | 0.0665 |
| Echinococcus multilocularis | bloom syndrome protein | 0.0024 | 0.1021 | 0.077 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0073 | 0.51 | 0.5081 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0035 | 0.1985 | 0.1761 |
| Brugia malayi | Bromodomain containing protein | 0.0035 | 0.1964 | 0.1739 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0918 | 0.0918 |
| Echinococcus multilocularis | ATP dependent DNA helicase Q5 | 0.0024 | 0.1021 | 0.077 |
| Brugia malayi | jmjC domain containing protein | 0.0115 | 0.8665 | 0.8628 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0039 | 0.0177 |
| Entamoeba histolytica | NLI interacting factor-like phosphatase domain-containing protein | 0.0015 | 0.0272 | 0.0272 |
| Schistosoma mansoni | hypothetical protein | 0.0035 | 0.1964 | 0.1964 |
| Echinococcus granulosus | bloom syndrome protein | 0.0024 | 0.1021 | 0.077 |
| Trichomonas vaginalis | 6-phosphofructokinase, putative | 0.0035 | 0.1985 | 0.1761 |
| Echinococcus granulosus | ATP dependent DNA helicase Q5 | 0.0024 | 0.1021 | 0.077 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Trypanosoma brucei | unspecified product | 0.0016 | 0.0363 | 0.0094 |
| Loa Loa (eye worm) | hypothetical protein | 0.0054 | 0.3542 | 0.3516 |
| Entamoeba histolytica | phosphofructokinase, putative | 0.0131 | 1 | 1 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0918 | 0.0918 |
| Echinococcus granulosus | dna polymerase kappa | 0.0023 | 0.0968 | 0.0716 |
| Giardia lamblia | Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit | 0.0035 | 0.1985 | 1 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0035 | 0.1985 | 0.1761 |
| Echinococcus granulosus | peregrin | 0.0035 | 0.1964 | 0.1739 |
| Entamoeba histolytica | pyrophosphate-dependent phosphofructokinase | 0.0035 | 0.1985 | 0.1985 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0933 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0043 | 0.2583 | 0.2583 |
| Trichomonas vaginalis | phosphofructokinase, putative | 0.0131 | 1 | 1 |
| Brugia malayi | PHD-finger family protein | 0.0035 | 0.1964 | 0.1739 |
| Toxoplasma gondii | PHD-finger domain-containing protein | 0.0035 | 0.1964 | 0.8938 |
| Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Entamoeba histolytica | phosphofructokinase, putative | 0.0131 | 1 | 1 |
| Plasmodium vivax | ADP-dependent DNA helicase RecQ, putative | 0.0012 | 0.0039 | 0.0196 |
| Toxoplasma gondii | exonuclease III APE | 0.0023 | 0.0918 | 0.418 |
| Leishmania major | DNA polymerase kappa, putative | 0.0023 | 0.0968 | 0.0716 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0054 | 0.3542 | 0.3516 |
| Plasmodium falciparum | ATP-dependent 6-phosphofructokinase | 0.0035 | 0.1985 | 1 |
| Toxoplasma gondii | 6-phosphofructokinase | 0.0035 | 0.1985 | 0.9036 |
| Trypanosoma brucei | DNA polymerase eta, putative | 0.0054 | 0.3542 | 0.3361 |
| Plasmodium vivax | NLI interacting factor-like phosphatase, putative | 0.0015 | 0.0272 | 0.137 |
| Trypanosoma brucei | ATP-dependent 6-phosphofructokinase, glycosomal | 0.0131 | 1 | 1 |
| Echinococcus multilocularis | dna polymerase kappa | 0.0023 | 0.0968 | 0.0716 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.351235446 um | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this ELISA dose response confirmation assay.), 733 (Primary dose response assay preceding this ELISA dose response confirmation assay.)] | ChEMBL. | No reference |
| IC50 (binding) | = 5.53927 um | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this dose response confirmation assay.)] | ChEMBL. | No reference |
| IC50 (functional) | = 11.103 uM | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] | ChEMBL. | No reference |
| Potency (functional) | = 0.3162 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 1.4716 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) | 7.5686 uM | PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] | ChEMBL. | No reference |
| Potency (functional) | 11.2202 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) | 12.5893 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (binding) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] | ChEMBL. | No reference |
| Potency (functional) | 33.8078 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] | 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.
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
- ChEMBL: CHEMBL1596516
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.