Detailed information for compound 979353
Basic information
Technical information
- TDR Targets ID: 979353
- Name: 2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyac etyl]amino]benzoic acid
- MW: 365.358 | Formula: C16H15NO7S
-
H donors: 3
H acceptors: 6
LogP: 2.2
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(Nc1ccc(c(c1)O)C(=O)O)COS(=O)(=O)c1ccc(cc1)C
- InChi: 1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
- InChiKey: HWNUSGNZBAISFM-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxy-1-oxoethyl]amino]benzoic acid
- 2-hydroxy-4-[2-(4-methylphenyl)sulfonyloxyethanoylamino]benzoic acid
- NSC74859
- NCIOpen2_008987
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | peptidylprolyl cis/trans isomerase, NIMA-interacting 1 | 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 | polymerase (DNA directed) kappa | Starlite/ChEMBL | No references |
| Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
| Homo sapiens | lysine (K)-specific demethylase 4A | Starlite/ChEMBL | No references |
| Homo sapiens | Werner syndrome, RecQ helicase-like | Starlite/ChEMBL | No references |
| Homo sapiens | polymerase (DNA directed) iota | Starlite/ChEMBL | No references |
| Homo sapiens | sirtuin 5 | 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 | SIR2-like protein 4, putative | sirtuin 5 | 292 aa | 272 aa | 29.0 % |
| Leishmania major | peptidyl-prolyl cis-trans isomerase, putative | peptidylprolyl cis/trans isomerase, NIMA-interacting 1 | 163 aa | 133 aa | 27.8 % |
| Brugia malayi | MH2 domain containing protein | SMAD family member 2 | 467 aa | 405 aa | 31.6 % |
| 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 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma cruzi | UDP-galactopyranose mutase | 0.014 | 0.9532 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 1 |
| Schistosoma mansoni | chromatin regulatory protein sir2 | 0.002 | 0.063 | 0.0661 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0045 | 0.0047 |
| Schistosoma mansoni | chromatin regulatory protein sir2 | 0.0062 | 0.378 | 0.3965 |
| Schistosoma mansoni | nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) | 0.0015 | 0.0269 | 0.0282 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.002 | 0.063 | 0.0598 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 0.6614 |
| Mycobacterium ulcerans | dehydrogenase | 0.014 | 0.9532 | 1 |
| Trypanosoma cruzi | Silent information regulator 2 related protein 3 | 0.0062 | 0.378 | 0.3965 |
| Mycobacterium ulcerans | protoporphyrinogen oxidase | 0.014 | 0.9532 | 1 |
| Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase | 0.0012 | 0.0067 | 0.007 |
| Echinococcus granulosus | dna polymerase eta | 0.0095 | 0.6205 | 0.6509 |
| Plasmodium vivax | ADP-dependent DNA helicase RecQ, putative | 0.002 | 0.0612 | 0.0642 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.002 | 0.0634 | 0.1005 |
| Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase | 0.0039 | 0.2082 | 0.2185 |
| Trypanosoma brucei | DNA polymerase eta, putative | 0.0095 | 0.6205 | 0.9841 |
| Trypanosoma brucei | Silent information regulator 2 related protein 3 | 0.0062 | 0.378 | 0.5995 |
| Loa Loa (eye worm) | hypothetical protein | 0.014 | 0.9532 | 0.9532 |
| Trichomonas vaginalis | rotamase, putative | 0.0039 | 0.2082 | 0.3004 |
| Loa Loa (eye worm) | hypothetical protein | 0.0095 | 0.6205 | 0.6205 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.002 | 0.063 | 0.0598 |
| Leishmania major | DNA polymerase kappa, putative | 0.002 | 0.0634 | 0.0665 |
| Trypanosoma brucei | chrX additional, unordered contigs | 0.002 | 0.0634 | 0.1005 |
| Brugia malayi | amine oxidase, flavin-containing family protein | 0.014 | 0.9532 | 0.9658 |
| Mycobacterium ulcerans | flavin-containing monoamine oxidase AofH | 0.014 | 0.9532 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.002 | 0.0634 | 0.0665 |
| Brugia malayi | PHD-finger family protein | 0.0035 | 0.1772 | 0.1795 |
| Schistosoma mansoni | Protoporphyrinogen oxidase chloroplast/mitochondrial precursor | 0.014 | 0.9532 | 1 |
| Entamoeba histolytica | Sir2 family transcriptional regulator, putative | 0.002 | 0.063 | 0.099 |
| Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 0.987 | 0.987 |
| Toxoplasma gondii | histone lysine-specific demethylase LSD1/BHC110/KDMA1A | 0.014 | 0.9532 | 1 |
| Toxoplasma gondii | histone deacetylase SIR2-like | 0.002 | 0.063 | 0.0661 |
| Trypanosoma brucei | SIR2-like protein 4, putative | 0.002 | 0.063 | 0.1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.002 | 0.063 | 0.099 |
| Plasmodium falciparum | protoporphyrinogen oxidase | 0.014 | 0.9532 | 1 |
| Trypanosoma cruzi | DNA damage repair protein, putative | 0.002 | 0.0634 | 0.0665 |
| Toxoplasma gondii | ImpB/MucB/SamB family protein | 0.002 | 0.0634 | 0.0665 |
| Schistosoma mansoni | hypothetical protein | 0.0015 | 0.0255 | 0.0268 |
| Giardia lamblia | Transcriptional regulator, Sir2 family | 0.0062 | 0.378 | 0.8364 |
| Echinococcus granulosus | terminal deoxycytidyl transferase rev1 | 0.0064 | 0.3918 | 0.4111 |
| Leishmania major | silent information regulator 2, putative | 0.002 | 0.063 | 0.0661 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0015 | 0.0269 | 0.0282 |
| Toxoplasma gondii | histone lysine-specific demethylase | 0.014 | 0.9532 | 1 |
| Trypanosoma brucei | peptidyl-prolyl cis-trans isomerase/rotamase, putative | 0.0039 | 0.2082 | 0.3303 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0043 | 0.2322 | 0.2436 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0051 | 0.292 | 0.3063 |
| Plasmodium falciparum | conserved Plasmodium membrane protein, unknown function | 0.0012 | 0.0011 | 0.0011 |
| Loa Loa (eye worm) | transcriptional regulator | 0.002 | 0.063 | 0.063 |
| Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase | 0.0039 | 0.2082 | 0.2185 |
| Mycobacterium ulcerans | oxidoreductase | 0.014 | 0.9532 | 1 |
| Schistosoma mansoni | DNA helicase recq1 | 0.0012 | 0.0045 | 0.0047 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0095 | 0.6205 | 0.6286 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 0.6614 |
| Plasmodium vivax | NLI interacting factor-like phosphatase, putative | 0.0015 | 0.0269 | 0.0282 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0015 | 0.0306 | 0.0062 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.002 | 0.063 | 0.0598 |
| Trypanosoma brucei | PHD-zinc-finger like domain containing protein, putative | 0.0012 | 0.0011 | 0.0017 |
| Trypanosoma brucei | PHD-zinc-finger like domain containing protein, putative | 0.0012 | 0.0011 | 0.0017 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0052 | 0.3032 | 0.4809 |
| Brugia malayi | SWIRM domain containing protein | 0.014 | 0.9532 | 0.9658 |
| Echinococcus multilocularis | jumonji domain containing protein | 0.0049 | 0.2797 | 0.2934 |
| Plasmodium falciparum | ATP-dependent DNA helicase Q1 | 0.0012 | 0.0045 | 0.0047 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0096 | 0.6305 | 0.6374 |
| Echinococcus multilocularis | bloom syndrome protein | 0.0029 | 0.131 | 0.1374 |
| Echinococcus granulosus | lysine specific histone demethylase 1A | 0.014 | 0.9532 | 1 |
| Trypanosoma brucei | Mitochondrial import inner membrane translocase subunit TIM50 | 0.0015 | 0.0269 | 0.0427 |
| Wolbachia endosymbiont of Brugia malayi | parvulin-like peptidyl-prolyl isomerase, PPID | 0.0012 | 0.0067 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.0255 | 0.0255 |
| Echinococcus multilocularis | Carboxy terminal domain RNA polymerase II | 0.0015 | 0.0269 | 0.0282 |
| Brugia malayi | jmjC domain containing protein | 0.0115 | 0.7725 | 0.7827 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 0.6614 |
| Trypanosoma cruzi | UDP-galactopyranose mutase | 0.014 | 0.9532 | 1 |
| Brugia malayi | transcriptional regulator, Sir2 family protein | 0.002 | 0.063 | 0.0639 |
| Trypanosoma brucei | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0015 | 0.0306 | 0.0486 |
| Trypanosoma cruzi | peptidyl-prolyl cis-trans isomerase, putative | 0.0012 | 0.0067 | 0.007 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0072 | 0.451 | 0.7154 |
| Giardia lamblia | NAD-dependent histone deacetylase Sir2 | 0.002 | 0.063 | 0.1311 |
| Echinococcus granulosus | jumonji domain containing protein | 0.0049 | 0.2797 | 0.2934 |
| Plasmodium vivax | hypothetical protein, conserved | 0.014 | 0.9532 | 1 |
| Leishmania major | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0015 | 0.0306 | 0.0321 |
| Loa Loa (eye worm) | hypothetical protein | 0.014 | 0.9532 | 0.9532 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.063 | 0.063 |
| Plasmodium falciparum | transcriptional regulatory protein sir2b | 0.002 | 0.063 | 0.0661 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.302 | 0.302 |
| Echinococcus multilocularis | terminal deoxycytidyl transferase rev1 | 0.0064 | 0.3918 | 0.4111 |
| Trichomonas vaginalis | DNA polymerase eta, putative | 0.0096 | 0.6305 | 1 |
| Trypanosoma cruzi | Silent information regulator 2 related protein 1 | 0.002 | 0.063 | 0.0661 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.002 | 0.063 | 0.0598 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.014 | 0.9532 | 1 |
| Trypanosoma brucei | DNA damage repair protein, putative | 0.002 | 0.0634 | 0.1005 |
| Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0025 | 0.1048 | 0.11 |
| Echinococcus multilocularis | Transcription factor, JmjC domain containing protein | 0.0115 | 0.7725 | 0.8104 |
| Brugia malayi | transcriptional regulator, Sir2 family protein | 0.002 | 0.063 | 0.0639 |
| Echinococcus granulosus | chromatin regulatory protein sir2 | 0.002 | 0.063 | 0.0661 |
| Entamoeba histolytica | Sir2 family transcriptional regulator, putative | 0.002 | 0.063 | 0.099 |
| Plasmodium vivax | NLI interacting factor-like phosphatase, putative | 0.0015 | 0.0269 | 0.0282 |
| Loa Loa (eye worm) | hypothetical protein | 0.014 | 0.9532 | 0.9532 |
| Schistosoma mansoni | mixed-lineage leukemia protein mll | 0.0012 | 0.0011 | 0.0011 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 1 |
| Plasmodium falciparum | phd finger protein, putative | 0.0035 | 0.1772 | 0.1859 |
| Echinococcus multilocularis | chromatin regulatory protein sir2 | 0.002 | 0.063 | 0.0661 |
| Brugia malayi | transcriptional regulator, Sir2 family protein | 0.002 | 0.063 | 0.0639 |
| Schistosoma mansoni | Lysine-specific histone demethylase 1 | 0.014 | 0.9532 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.014 | 0.9532 | 0.9532 |
| Mycobacterium ulcerans | hypothetical protein | 0.002 | 0.0634 | 0.0004 |
| Loa Loa (eye worm) | ATP-dependent DNA helicase | 0.0012 | 0.0045 | 0.0045 |
| Schistosoma mansoni | rab geranylgeranyl transferase alpha subunit | 0.0064 | 0.3918 | 0.4111 |
| Trypanosoma cruzi | DNA damage repair protein, putative | 0.002 | 0.0634 | 0.0665 |
| Loa Loa (eye worm) | RecQ helicase | 0.0029 | 0.131 | 0.131 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0012 | 0.0011 | 0.0011 |
| Loa Loa (eye worm) | hypothetical protein | 0.014 | 0.9532 | 0.9532 |
| Schistosoma mansoni | amine oxidase | 0.014 | 0.9532 | 1 |
| Chlamydia trachomatis | protoporphyrinogen oxidase | 0.014 | 0.9532 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0052 | 0.302 | 0.479 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0073 | 0.4558 | 0.4558 |
| Trypanosoma brucei | DNA damage repair protein, putative | 0.002 | 0.0634 | 0.1005 |
| Schistosoma mansoni | DNA polymerase eta | 0.0095 | 0.6205 | 0.6509 |
| Schistosoma mansoni | rotamase | 0.004 | 0.2153 | 0.2259 |
| Schistosoma mansoni | DNA polymerase IV / kappa | 0.002 | 0.0634 | 0.0665 |
| Plasmodium falciparum | DNA repair protein REV1, putative | 0.002 | 0.0634 | 0.0665 |
| Plasmodium vivax | DNA repair protein REV1, putative | 0.002 | 0.0634 | 0.0665 |
| Leishmania major | DNA polymerase eta, putative | 0.0095 | 0.6205 | 0.6509 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.0062 | 0.378 | 0.5817 |
| Echinococcus multilocularis | NAD dependent deacetylase sirtuin 1 | 0.002 | 0.063 | 0.0661 |
| Brugia malayi | jmjC domain containing protein | 0.0043 | 0.2322 | 0.2353 |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0045 | 0.0045 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.3641 | 0.3641 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.002 | 0.0634 | 0.0665 |
| Echinococcus granulosus | NAD dependent deacetylase sirtuin 3 | 0.002 | 0.063 | 0.0661 |
| Leishmania major | DNA polymerase kappa, putative | 0.0072 | 0.451 | 0.4732 |
| Schistosoma mansoni | terminal deoxycytidyl transferase | 0.0064 | 0.3918 | 0.4111 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0095 | 0.6205 | 0.6509 |
| Echinococcus multilocularis | PHD finger protein rhinoceros | 0.0035 | 0.1772 | 0.1859 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0035 | 0.1772 | 0.1859 |
| Toxoplasma gondii | PHD-finger domain-containing protein | 0.0012 | 0.0011 | 0.0011 |
| Brugia malayi | AF-10 protein | 0.0012 | 0.0011 | 0.0011 |
| Schistosoma mansoni | hypothetical protein | 0.0035 | 0.1772 | 0.1859 |
| Schistosoma mansoni | chromatin regulatory protein sir2 | 0.002 | 0.063 | 0.0661 |
| Schistosoma mansoni | chromatin regulatory protein sir2 | 0.002 | 0.063 | 0.0661 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.002 | 0.063 | 0.0598 |
| Echinococcus granulosus | Carboxy terminal domain RNA polymerase II | 0.0015 | 0.0269 | 0.0282 |
| Brugia malayi | PHD-finger family protein | 0.0012 | 0.0011 | 0.0011 |
| Echinococcus granulosus | PHD finger protein rhinoceros | 0.0035 | 0.1772 | 0.1859 |
| Trypanosoma brucei | peptidyl-prolyl cis-trans isomerase, putative | 0.0012 | 0.0067 | 0.0106 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.002 | 0.0634 | 0.1005 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0096 | 0.6305 | 0.6374 |
| Leishmania major | peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative | 0.0039 | 0.2082 | 0.2185 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.0062 | 0.378 | 0.5817 |
| Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 0.987 | 0.987 |
| Brugia malayi | F/Y-rich N-terminus family protein | 0.0012 | 0.0011 | 0.0011 |
| Mycobacterium ulcerans | NAD-dependent deacetylase | 0.0062 | 0.378 | 0.3538 |
| Echinococcus granulosus | Transcription factor JmjC domain containing protein | 0.0115 | 0.7725 | 0.8104 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0029 | 0.131 | 0.1724 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 0.0045 | 0.0045 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0045 | 0.0047 |
| Echinococcus multilocularis | ATP dependent DNA helicase Q5 | 0.0012 | 0.0045 | 0.0047 |
| Leishmania major | DNA damage repair protein, putative | 0.002 | 0.0634 | 0.0665 |
| Echinococcus granulosus | bloom syndrome protein | 0.0029 | 0.131 | 0.1374 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0096 | 0.6305 | 1 |
| Toxoplasma gondii | ImpB/MucB/SamB family protein | 0.0051 | 0.292 | 0.3063 |
| Loa Loa (eye worm) | Pin1-type peptidyl-prolyl cis-trans isomerase | 0.004 | 0.2153 | 0.2153 |
| Toxoplasma gondii | WD domain, G-beta repeat-containing protein | 0.0012 | 0.0011 | 0.0011 |
| Giardia lamblia | DNA damage repair protein | 0.002 | 0.0634 | 0.1319 |
| Onchocerca volvulus | 0.014 | 0.9532 | 1 | |
| Echinococcus granulosus | NAD dependent deacetylase sirtuin 1 | 0.002 | 0.063 | 0.0661 |
| Echinococcus multilocularis | lysine specific demethylase 5A | 0.0043 | 0.2322 | 0.2436 |
| Echinococcus multilocularis | 0.0015 | 0.0269 | 0.0282 | |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0064 | 0.3918 | 0.024 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 0.0011 | 0.0011 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0019 | 0.0595 | 0.0624 |
| Echinococcus granulosus | CTD small phosphatase protein like | 0.0015 | 0.0269 | 0.0282 |
| Leishmania major | NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe | 0.0062 | 0.378 | 0.3965 |
| Trypanosoma cruzi | Silent information regulator 2 related protein 1 | 0.002 | 0.063 | 0.0661 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0043 | 0.2322 | 0.2322 |
| Echinococcus granulosus | expressed protein | 0.004 | 0.2153 | 0.2259 |
| Plasmodium falciparum | transcriptional regulatory protein sir2a | 0.0062 | 0.378 | 0.3965 |
| Schistosoma mansoni | jumonji domain containing protein | 0.0092 | 0.5964 | 0.6256 |
| Echinococcus granulosus | ATP dependent DNA helicase Q5 | 0.0012 | 0.0045 | 0.0047 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0096 | 0.6305 | 1 |
| Echinococcus multilocularis | NAD dependent deacetylase sirtuin 6 | 0.002 | 0.063 | 0.0661 |
| Echinococcus multilocularis | expressed protein | 0.004 | 0.2153 | 0.2259 |
| Leishmania major | DNA polymerase kappa, putative,DNA polymerase IV, putative | 0.0072 | 0.451 | 0.4732 |
| Giardia lamblia | Nuclear LIM interactor-interacting factor 1 | 0.0015 | 0.0269 | 0.0502 |
| Echinococcus granulosus | dna polymerase kappa | 0.0096 | 0.6305 | 0.6614 |
| Echinococcus multilocularis | ATP dependent DNA helicase Q1 | 0.0012 | 0.0045 | 0.0047 |
| Echinococcus granulosus | NAD dependent deacetylase sirtuin 7 | 0.002 | 0.063 | 0.0661 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0064 | 0.3918 | 0.397 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.002 | 0.063 | 0.0598 |
| Echinococcus multilocularis | NAD dependent deacetylase sirtuin 7 | 0.002 | 0.063 | 0.0661 |
| Schistosoma mansoni | chromatin regulatory protein sir2 | 0.002 | 0.063 | 0.0661 |
| Trypanosoma cruzi | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0015 | 0.0306 | 0.0321 |
| Plasmodium falciparum | lysine-specific histone demethylase 1, putative | 0.014 | 0.9532 | 1 |
| Echinococcus multilocularis | dna polymerase eta | 0.0095 | 0.6205 | 0.6509 |
| Brugia malayi | MH2 domain containing protein | 0.0144 | 0.987 | 1 |
| Entamoeba histolytica | peptidyl-prolyl cis-trans isomerase, putative | 0.0039 | 0.2082 | 0.4969 |
| Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0096 | 0.6305 | 1 |
| Toxoplasma gondii | peptidylprolyl isomerase | 0.0039 | 0.2082 | 0.2185 |
| Loa Loa (eye worm) | sirtuin 4 | 0.002 | 0.063 | 0.063 |
| Toxoplasma gondii | histone deacetylase SIR2 | 0.0062 | 0.378 | 0.3965 |
| Toxoplasma gondii | Dullard family phosphatase domain-containing protein | 0.0015 | 0.0269 | 0.0282 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 1 |
| Plasmodium vivax | protoporphyrinogen oxidase, putative | 0.014 | 0.9532 | 1 |
| Loa Loa (eye worm) | transcriptional regulator | 0.002 | 0.063 | 0.063 |
| Schistosoma mansoni | nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) | 0.0015 | 0.0269 | 0.0282 |
| Entamoeba histolytica | Sir2 family transcriptional regulator, putative | 0.0062 | 0.378 | 0.9621 |
| Giardia lamblia | PHD finger protein 15 | 0.0035 | 0.1772 | 0.3868 |
| Toxoplasma gondii | PPIC-type PPIASE domain-containing protein | 0.0012 | 0.0067 | 0.007 |
| Brugia malayi | NAD-dependent deacetylase SIRT1 | 0.002 | 0.063 | 0.0639 |
| Plasmodium vivax | NAD-dependent deacetylase, putative | 0.0062 | 0.378 | 0.3965 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 0.6614 |
| Loa Loa (eye worm) | ImpB/MucB/SamB family protein | 0.0064 | 0.3918 | 0.3918 |
| Schistosoma mansoni | amine oxidase | 0.014 | 0.9532 | 1 |
| Echinococcus granulosus | NAD dependent deacetylase sirtuin 6 | 0.002 | 0.063 | 0.0661 |
| Leishmania major | peptidyl-prolyl cis-trans isomerase, putative | 0.0012 | 0.0067 | 0.007 |
| Trypanosoma cruzi | Silent information regulator 2 related protein 3 | 0.0062 | 0.378 | 0.3965 |
| Brugia malayi | hypothetical protein | 0.014 | 0.9532 | 0.9658 |
| Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.1772 | 0.1772 |
| Trypanosoma brucei | unspecified product | 0.0044 | 0.244 | 0.387 |
| Trypanosoma brucei | Silent information regulator 2 related protein 1 | 0.002 | 0.063 | 0.1 |
| Leishmania major | sir2-family protein-like protein | 0.002 | 0.063 | 0.0661 |
| Entamoeba histolytica | NAD-dependent deacetylase 1, putative | 0.002 | 0.063 | 0.099 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0043 | 0.2322 | 0.2436 |
| Plasmodium falciparum | NLI interacting factor-like phosphatase, putative | 0.0015 | 0.0269 | 0.0282 |
| Giardia lamblia | Sirtuin type 2 | 0.002 | 0.063 | 0.1311 |
| Plasmodium vivax | hypothetical protein, conserved | 0.014 | 0.9532 | 1 |
| Schistosoma mansoni | chromatin regulatory protein sir2 | 0.002 | 0.063 | 0.0661 |
| Schistosoma mansoni | bromodomain-containing nuclear protein 1 brd1 | 0.0035 | 0.1772 | 0.1859 |
| Giardia lamblia | DINP protein human, muc B family | 0.0072 | 0.451 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 1 |
| Brugia malayi | Bloom's syndrome protein homolog | 0.0029 | 0.131 | 0.1327 |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0045 | 0.0045 |
| Echinococcus granulosus | lysine specific histone demethylase 1A | 0.014 | 0.9532 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 1 |
| Loa Loa (eye worm) | transcriptional regulator | 0.002 | 0.063 | 0.063 |
| Echinococcus granulosus | peregrin | 0.0035 | 0.1772 | 0.1859 |
| Plasmodium vivax | hypothetical protein, conserved | 0.002 | 0.063 | 0.0661 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 1 |
| Brugia malayi | Bromodomain containing protein | 0.0035 | 0.1772 | 0.1795 |
| Toxoplasma gondii | PHD-finger domain-containing protein | 0.0035 | 0.1772 | 0.1859 |
| Plasmodium vivax | lysine-specific histone demethylase 1, putative | 0.014 | 0.9532 | 1 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0088 | 0.5713 | 0.9061 |
| Echinococcus multilocularis | 0.014 | 0.9532 | 1 | |
| Trypanosoma brucei | unspecified product | 0.0044 | 0.244 | 0.387 |
| Brugia malayi | Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 | 0.004 | 0.2153 | 0.2181 |
| Leishmania major | hypothetical protein, conserved | 0.0015 | 0.0269 | 0.0282 |
| Trichomonas vaginalis | DNA helicase recq1, putative | 0.0029 | 0.131 | 0.1724 |
| Mycobacterium leprae | PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) | 0.014 | 0.9532 | 1 |
| Trichomonas vaginalis | rotamase, putative | 0.004 | 0.2153 | 0.3121 |
| Echinococcus multilocularis | lysine specific histone demethylase 1A | 0.014 | 0.9532 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0052 | 0.3032 | 0.4809 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0096 | 0.6305 | 1 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.002 | 0.063 | 0.0598 |
| Echinococcus multilocularis | dna polymerase kappa | 0.0096 | 0.6305 | 0.6614 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.002 | 0.063 | 0.0598 |
| Schistosoma mansoni | hypothetical protein | 0.0012 | 0.0011 | 0.0011 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.004 | 0.2153 | 0.3121 |
| Echinococcus granulosus | ATP dependent DNA helicase Q1 | 0.0012 | 0.0045 | 0.0047 |
| Brugia malayi | Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 | 0.0015 | 0.0269 | 0.0273 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0052 | 0.3032 | 0.4809 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.0269 | 0.0269 |
| Schistosoma mansoni | chromatin regulatory protein sir2 | 0.002 | 0.063 | 0.0661 |
| Loa Loa (eye worm) | hypothetical protein | 0.014 | 0.9532 | 0.9532 |
| Echinococcus granulosus | lysine specific demethylase 5A | 0.0043 | 0.2322 | 0.2436 |
| Schistosoma mansoni | blooms syndrome DNA helicase | 0.0023 | 0.0857 | 0.0899 |
| Toxoplasma gondii | PHD-finger domain-containing protein | 0.0035 | 0.1772 | 0.1859 |
| Trypanosoma brucei | unspecified product | 0.0088 | 0.5713 | 0.9061 |
| Trichomonas vaginalis | chromatin regulatory protein sir2, putative | 0.0062 | 0.378 | 0.5817 |
| Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0072 | 0.451 | 0.127 |
| Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0064 | 0.3918 | 1 |
| Giardia lamblia | Hypothetical protein | 0.002 | 0.063 | 0.1311 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0052 | 0.302 | 0.479 |
| Toxoplasma gondii | BRCA1 C Terminus (BRCT) domain-containing protein | 0.0028 | 0.1226 | 0.1286 |
| Schistosoma mansoni | DNA helicase recq5 | 0.0012 | 0.0045 | 0.0047 |
| Mycobacterium ulcerans | monoamine oxidase | 0.014 | 0.9532 | 1 |
| Entamoeba histolytica | recQ family helicase, putative | 0.0015 | 0.0306 | 0.0102 |
| Mycobacterium tuberculosis | Possible oxidoreductase | 0.014 | 0.9532 | 1 |
| Plasmodium falciparum | conserved Plasmodium protein, unknown function | 0.014 | 0.9532 | 1 |
| Leishmania major | DNA polymerase eta, putative | 0.0051 | 0.292 | 0.3063 |
| Echinococcus multilocularis | peregrin | 0.0035 | 0.1772 | 0.1859 |
| Brugia malayi | polk-prov protein | 0.0052 | 0.302 | 0.306 |
| Echinococcus multilocularis | NAD dependent deacetylase sirtuin 3 | 0.002 | 0.063 | 0.0661 |
| Loa Loa (eye worm) | PHD-finger family protein | 0.0035 | 0.1772 | 0.1772 |
| Mycobacterium ulcerans | flavin-containing monoamine oxidase AofH | 0.014 | 0.9532 | 1 |
| Leishmania major | UDP-galactopyranose mutase | 0.014 | 0.9532 | 1 |
| Echinococcus multilocularis | protoporphyrinogen oxidase | 0.014 | 0.9532 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| AC50 (binding) | 4.19 uM | PubChem BioAssay. MLPCN SirT-5 Measured in Biochemical System Using Imaging - 7044-01_Inhibitor_Dose_CherryPick_Activity_Set5. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Activity (functional) | = 50 % | Induction of apoptosis in mock pcDNA3 transfected human MDA-MB-231 cells at 100 uM after 24 hrs | ChEMBL. | 17463090 |
| Activity (functional) | = 50 % | Induction of apoptosis in human MDA-MB-231 cells at 100 uM after 24 hrs | ChEMBL. | 17463090 |
| GI (functional) | = 20 % | Cytotoxicity against human SNU449 cells with intact TGFbeta pathway assessed as growth inhibition at 250 uM after 72 hrs by MTT assay | ChEMBL. | 22650325 |
| IC50 (functional) | = 4.636 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 |
| IC50 (functional) | 75.277 uM | PubChem BioAssay. An HIV-1 Tat-TAR Fluorescence Polarization (FP) Counter Screen to evaluate Inhibitors Targeting HIV-1 Vif-dependent Degradation of Human APOBEC3G. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (binding) | = 84 uM | Binding affinity to Stat3 (unknown origin) using hSIE as probe preincubated for 30 mins followed by hSIE addition by electrophoretic mobility shift assay | ChEMBL. | 23968501 |
| IC50 (binding) | = 86 uM | Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction in nucleus after 30 mins by EMSA | ChEMBL. | 22650325 |
| IC50 (binding) | = 86 uM | Inhibition of STAT3 dimerization in EGF-stimulated mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction after 30 mins by EMSA | ChEMBL. | 22650325 |
| IC50 (binding) | = 86 uM | Inhibition of STAT3 (unknown origin) dimerization by EMSA | ChEMBL. | 24073326 |
| IC50 (binding) | = 86 uM | Inhibition of STAT3 (unknown origin) DNA-binding activity by electrophoretic mobility shift assay | ChEMBL. | No reference |
| IC50 (functional) | = 86 uM | Inhibition of Stat3 DNA binding activity in EGF-stimulated mouse NIH3T3 cells expressing hEGFR with activated Stat1, Stat3, Stat5 | ChEMBL. | 17463090 |
| IC50 (functional) | = 86 uM | Inhibition of Stat3:Stat3 dimerization in EGF-stimulated mouse NIH3T3 cells expressing hEGFR with activated Stat1, Stat3, Stat5 | ChEMBL. | 17463090 |
| IC50 (functional) | = 160 uM | Inhibition of Stat1:Stat3 dimerization in EGF-stimulated mouse NIH3T3 cells expressing hEGFR with activated Stat1, Stat3, Stat5 | ChEMBL. | 17463090 |
| IC50 (functional) | = 166 uM | Inhibition of Stat5:Stat5 dimerization in EGF-stimulated mouse NIH3T3 cells expressing hEGFR with activated Stat1, Stat3, Stat5 | ChEMBL. | 17463090 |
| IC50 (binding) | > 300 uM | Inhibition of STAT1 dimerization in EGF-stimulated mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT1-DNA interaction after 30 mins by EMSA | ChEMBL. | 22650325 |
| IC50 (functional) | > 300 uM | Inhibition of Stat1:Stat1 dimerization in EGF-stimulated mouse NIH3T3 cells expressing hEGFR with activated Stat1, Stat3, Stat5 | ChEMBL. | 17463090 |
| Ki (binding) | = 80 uM | Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction after 15 mins by fluorescence polarization assay | ChEMBL. | 22650325 |
| Potency (functional) | 0.4467 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 3.1623 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
| Potency (functional) | 3.3587 uM | PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 10.691 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.8876 uM | PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.0115 uM | PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.9526 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) | 19.9526 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS Assay for Activators of ClpP. (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.
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: CHEMBL477936
Bibliographic References
3 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.