Detailed information for compound 1856431

Basic information

Technical information
  • TDR Targets ID: 1856431
  • Name: 4-[(E)-[[2-[(2-chlorophenyl)methyl-(4-chlorop henyl)sulfonylamino]acetyl]hydrazinylidene]me thyl]benzoic acid
  • MW: 520.385 | Formula: C23H19Cl2N3O5S
  • H donors: 2 H acceptors: 5 LogP: 4.32 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccccc1Cl)N/N=C/c1ccc(cc1)C(=O)O
  • InChi: 1S/C23H19Cl2N3O5S/c24-19-9-11-20(12-10-19)34(32,33)28(14-18-3-1-2-4-21(18)25)15-22(29)27-26-13-16-5-7-17(8-6-16)23(30)31/h1-13H,14-15H2,(H,27,29)(H,30,31)/b26-13+
  • InChiKey: GTVQYVJBYOYWAY-LGJNPRDNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
  • 4-[[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonyl-amino]acetyl]hydrazono]methyl]benzoic acid
  • 4-[(E)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonyl-amino]acetyl]hydrazono]methyl]benzoic acid
  • 4-[[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-1-oxoethyl]hydrazono]methyl]benzoic acid
  • 4-[(E)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-1-oxoethyl]hydrazono]methyl]benzoic acid
  • 4-[(E)-[[2-[(2-chlorobenzyl)-(4-chlorophenyl)sulfonyl-amino]acetyl]hydrazono]methyl]benzoic acid
  • 4-[[[2-[(2-chlorobenzyl)-(4-chlorophenyl)sulfonyl-amino]acetyl]hydrazono]methyl]benzoic acid
  • 4-[(E)-[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonyl-amino]ethanoylhydrazinylidene]methyl]benzoic acid
  • 4-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonyl-amino]ethanoylhydrazinylidene]methyl]benzoic acid
  • 4-[2-({(2-chlorobenzyl)[(4-chlorophenyl)sulfonyl]amino}acetyl)carbohydrazonoyl]benzoic acid
  • AN-648/40927029

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
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 congolense apurinic/apyrimidinic endonuclease, 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Plasmodium yoelii putative AP endonuclease-related 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
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
Entamoeba histolytica exodeoxyribonuclease III, 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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 major apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 cruzi apurinic/apyrimidinic endonuclease, putative 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2714 0.4817
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0891 0.1581
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.2714 0.2714
Entamoeba histolytica hypothetical protein 0.0043 0.5634 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0384 0.0433
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.2628 0.9683
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0384 0.1461
Trypanosoma brucei unspecified product 0.0016 0.1665 0.6136
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.2628 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0474 0.1748
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0474 0.1748
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0384 0.1415
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2628 0.9683
Trypanosoma brucei unspecified product 0.0016 0.1665 0.6136
Leishmania major DNA damage repair protein, putative 0.0007 0.0384 0.1415
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2714 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0584 0.1037
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0474 0.1748
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0384 0.0384
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0474 0.1748
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1665 0.6136
Schistosoma mansoni cpg binding protein 0.0037 0.465 0.465
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5634 0.5634
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Schistosoma mansoni ap endonuclease 0.0023 0.2628 0.2628
Echinococcus multilocularis dna polymerase eta 0.0023 0.2714 0.4817
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0384 0.1415
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2714 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0474 0.1748
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2628 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.2714 0.622
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0384 0.1415
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2628 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Echinococcus multilocularis cpg binding protein 0.0037 0.465 0.8253
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.2628 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0474 0.1748
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0474 0.1748
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.2714 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.2714 1
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0384 0.1461
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0384 0.1415
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0584 0.0584
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2714 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.2628 0.9683
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0891 0.2042
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.2628 0.4664
Brugia malayi polk-prov protein 0.0007 0.0384 0.0681
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0584 0.1037
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0474 0.1748
Loa Loa (eye worm) hypothetical protein 0.0023 0.2714 0.622
Loa Loa (eye worm) hypothetical protein 0.0007 0.0384 0.088
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0474 0.1748
Echinococcus granulosus dna polymerase kappa 0.0023 0.2714 0.4817
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5634 1
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0384 0.1415
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.2714 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.2628 0.4664
Leishmania major DNA polymerase eta, putative 0.0007 0.0384 0.1415
Leishmania major DNA polymerase eta, putative 0.0023 0.2714 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.2714 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0584 0.1037
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.2714 0.4817
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.2714 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.4363 0.7745
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5634 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0474 0.1748
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.2628 0.9683
Trichomonas vaginalis helicase, putative 0.0008 0.0474 0.1748
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0384 0.0433
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.2714 0.4817
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2714 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.2714 0.2714
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.2714 0.4817
Schistosoma mansoni hypothetical protein 0.0043 0.5634 0.5634
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.2628 0.4664
Schistosoma mansoni cpg binding protein 0.0035 0.4363 0.4363
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0474 0.1748
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2714 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0474 0.1748
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0891 0.1581
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.2628 0.9683
Leishmania major DNA polymerase kappa, putative 0.0007 0.0384 0.1415
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.2714 1
Entamoeba histolytica hypothetical protein 0.0043 0.5634 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2714 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.2714 1
Giardia lamblia DNA damage repair protein 0.0007 0.0384 0.1415
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0474 0.1748
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.2628 0.963
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0474 0.1748
Echinococcus granulosus cpg binding protein 0.0037 0.465 0.8253
Trypanosoma brucei unspecified product 0.0023 0.2714 1
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0384 0.1415
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.2714 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.2628 0.9683
Brugia malayi hypothetical protein 0.0043 0.5634 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2714 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0474 0.1748
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0384 0.1415
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8861 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.2628 0.4664
Echinococcus multilocularis dna polymerase kappa 0.0023 0.2714 0.4817
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2714 1
Entamoeba histolytica hypothetical protein 0.0043 0.5634 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Onchocerca volvulus 0.0035 0.4363 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0384 0.1415
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1665 0.6136
Giardia lamblia DINP protein human, muc B family 0.0023 0.2714 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.2714 0.2714
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0056 0.0056
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0584 0.1037
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1665 0.6136
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2714 0.4817
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0474 0.1748
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2714 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0871 0.1546
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.2628 0.6023
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2628 0.9683
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4363 1
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0384 0.1415
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0384 0.1415
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0474 0.1748
Echinococcus granulosus dna polymerase eta 0.0023 0.2714 0.4817
Schistosoma mansoni cpg binding protein 0.0037 0.465 0.465
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0384 0.1415
Schistosoma mansoni ap endonuclease 0.0023 0.2628 0.2628
Entamoeba histolytica hypothetical protein 0.0043 0.5634 1
Toxoplasma gondii exonuclease III APE 0.0023 0.2628 0.2966
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0384 0.0433
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2714 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.2628 0.9683
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0384 0.1415

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 2.3778 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.526 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) 29.0929 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) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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