Detailed information for compound 1237428

Basic information

Technical information
  • TDR Targets ID: 1237428
  • Name: (3-fluorophenyl)-[4-(2-methylcyclohexyl)piper azin-1-yl]methanone; oxalic acid
  • MW: 394.437 | Formula: C20H27FN2O5
  • H donors: 2 H acceptors: 5 LogP: 1.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.CC1CCCCC1N1CCN(CC1)C(=O)c1cccc(c1)F
  • InChi: 1S/C18H25FN2O.C2H2O4/c1-14-5-2-3-8-17(14)20-9-11-21(12-10-20)18(22)15-6-4-7-16(19)13-15;3-1(4)2(5)6/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3;(H,3,4)(H,5,6)
  • InChiKey: QTSQXVWWSOJNEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3-fluorophenyl)-[4-(2-methylcyclohexyl)-1-piperazinyl]methanone; oxalic acid
  • ethanedioic acid; (3-fluorophenyl)-[4-(2-methylcyclohexyl)piperazin-1-yl]methanone
  • (3-Fluoro-phenyl)-[4-(2-methyl-cyclohexyl)-piperazin-1-yl]-methanone
  • MLS000073049
  • SMR000012895

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein 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
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni ap endonuclease 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 tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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 brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Loa Loa (eye worm) exodeoxyribonuclease III family 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
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0506 0.0543
Echinococcus multilocularis peregrin 0.0035 0.0474 0.0508
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0474 0.5708
Echinococcus granulosus glutathione S transferase 0.0208 0.7024 0.7526
Brugia malayi Pre-SET motif family protein 0.0036 0.0506 0.0583
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0831 0.0831
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0506 0.0543
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0833 0.0893
Schistosoma mansoni inositol monophosphatase 0.0045 0.0831 0.0891
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0998 0.1069
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0833 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0474 0.5708
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0104 0.3083 0.3304
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.2165 0.2493
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0506 0.0543
Loa Loa (eye worm) hypothetical protein 0.0061 0.1447 0.1666
Brugia malayi jmjC domain containing protein 0.0115 0.3516 0.405
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0756 0.081
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.2165 0.2319
Echinococcus multilocularis glutathione S transferase 0.0208 0.7024 0.7526
Giardia lamblia PHD finger protein 15 0.0035 0.0474 0.5694
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0831 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0506 0.0543
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3516 0.3768
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0831 0.0891
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.089 0.0953
Loa Loa (eye worm) hypothetical protein 0.006 0.143 0.1647
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0833 0.385
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0831 0.384
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0053 0.1148 0.1148
Brugia malayi Ribonuclease 2-5A family protein 0.0104 0.3083 0.3551
Loa Loa (eye worm) hypothetical protein 0.0036 0.0506 0.0583
Echinococcus multilocularis glutathione S transferase 0.0061 0.1447 0.155
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.2165 0.7021
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.2165 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0506 0.0543
Echinococcus multilocularis glutathione S-transferase 0.0061 0.1447 0.155
Trichomonas vaginalis glutaminyl-tRNA synthetase, putative 0.0047 0.0918 0.0918
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0833 0.0893
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0831 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2165 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0506 0.0543
Echinococcus granulosus glutathione S transferase 0.0047 0.0918 0.0983
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0474 0.0547
Brugia malayi PHD-finger family protein 0.0035 0.0474 0.0547
Brugia malayi Glutathione S-transferase 4 0.0047 0.0918 0.1057
Loa Loa (eye worm) hypothetical protein 0.0045 0.0833 0.096
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0456 0.0489
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0474 0.0508
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0833 0.0893
Plasmodium vivax SET domain protein, putative 0.0036 0.0506 0.0543
Schistosoma mansoni hypothetical protein 0.0035 0.0474 0.0508
Brugia malayi Bromodomain containing protein 0.0035 0.0474 0.0547
Echinococcus multilocularis glutathione S transferase 0.0047 0.0918 0.0983
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8681 1
Echinococcus multilocularis prostaglandin H2 D isomerase 0.0268 0.9333 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0756 0.0871
Echinococcus multilocularis glutathione s transferase mu 0.0061 0.1447 0.155
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0654 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0831 0.384
Echinococcus granulosus transcription factor Dp 1 0.0046 0.089 0.0953
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.2165 0.2319
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0833 0.0893
Brugia malayi glutathione transferase 0.0061 0.1447 0.1666
Echinococcus granulosus peregrin 0.0035 0.0474 0.0508
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0506 0.6092
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.116 0.1243
Brugia malayi jmjC domain containing protein 0.0043 0.0756 0.0871
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3516 0.3768
Entamoeba histolytica protein kinase, putative 0.0104 0.3083 1
Onchocerca volvulus 0.0047 0.0918 0.0465
Schistosoma mansoni Glutathione S-transferase 28 kDa (GST 28) (GST class-mu) 0.0268 0.9333 1
Echinococcus granulosus glutathione s transferase mu 0.0061 0.1447 0.155
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0833 0.385
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0833 0.0893
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0831 0.384
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0833 0.0833
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2616 0.2803
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.2165 0.2493
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0831 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0474 0.0508
Plasmodium falciparum glutathione S-transferase 0.0061 0.1447 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0756 0.081
Schistosoma mansoni inositol monophosphatase 0.0045 0.0831 0.0891
Echinococcus granulosus glutathione S transferase Mu 1 0.0061 0.1447 0.155
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2165 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0831 0.384
Schistosoma mansoni glutathione-S-transferase 0.0061 0.1447 0.155
Plasmodium vivax glutathione S-transferase, putative 0.0268 0.9333 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0474 0.0508
Echinococcus granulosus prostaglandin H2 D isomerase 0.0268 0.9333 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0831 0.0831
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0831 0.2696
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1148 0.1148
Entamoeba histolytica protein kinase, putative 0.0104 0.3083 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0998 0.1069
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0756 0.081
Onchocerca volvulus 0.0036 0.0506 0.0034
Loa Loa (eye worm) hypothetical protein 0.0035 0.0474 0.0547
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0833 0.2703
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2165 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0831 0.0891
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0833 0.0893
Schistosoma mansoni GST class-mu 0.0061 0.1447 0.155
Echinococcus granulosus glutathione S transferase 0.0061 0.1447 0.155
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0833 0.0893
Brugia malayi Inositol-1 0.0045 0.0831 0.0958
Loa Loa (eye worm) inositol-1 0.0045 0.0831 0.0958
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0104 0.3083 0.3304
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0756 0.081
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0831 0.0831
Loa Loa (eye worm) IRE protein kinase 0.0104 0.3083 0.3551
Echinococcus multilocularis glutathione S transferase 0.0047 0.0918 0.0983
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0474 0.0508
Echinococcus multilocularis glutathione S transferase 0.0061 0.1447 0.155
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0833 0.0833
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0833 0.0893
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0833 0.0833
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1898 0.2186
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0654 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0833 0.385
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.2165 0.2319
Plasmodium falciparum phd finger protein, putative 0.0035 0.0474 0.328
Echinococcus multilocularis glutathione S transferase 0.0061 0.1447 0.155
Brugia malayi Pre-SET motif family protein 0.0251 0.8681 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0918 0.1057
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0833 0.096
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0506 0.0543
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0833 0.385

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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