Detailed information for compound 1336004

Basic information

Technical information
  • TDR Targets ID: 1336004
  • Name: 2-methoxy-N-methyl-N-[5-(4-nitrophenyl)-1,3,4 -thiadiazol-2-yl]acetamide
  • MW: 308.313 | Formula: C12H12N4O4S
  • H donors: 0 H acceptors: 5 LogP: 1.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)N(c1nnc(s1)c1ccc(cc1)[N+](=O)[O-])C
  • InChi: 1S/C12H12N4O4S/c1-15(10(17)7-20-2)12-14-13-11(21-12)8-3-5-9(6-4-8)16(18)19/h3-6H,7H2,1-2H3
  • InChiKey: NKHXPGKAROASTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methoxy-N-methyl-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanamide
  • ZINC01348918
  • ASN 09114482
  • 2-Methoxy-N-methyl-N-[5-(4-nitro-phenyl)-[1,3,4]thiadiazol-2-yl]-acetamide
  • MLS000550830
  • SMR000173691

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Onchocerca volvulus 0.0036 0.0176 0.0881
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0027 0.0108 0.1244
Trypanosoma cruzi Heat shock protein 83, putative 0.0131 0.0868 1
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0027 0.0108 0.1603
Plasmodium falciparum endoplasmin, putative 0.0081 0.0499 0.5749
Mycobacterium leprae Probable two component sensor kinase MprB 0.0027 0.0108 0.1603
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0027 0.0108 0.1244
Schistosoma mansoni serine/threonine protein kinase 0.1388 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0108 0.0108
Trichomonas vaginalis heat shock protein, putative 0.0054 0.0305 0.1529
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Echinococcus multilocularis geminin 0.0205 0.14 0.14
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0027 0.0108 0.1244
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0027 0.0108 0.0542
Trypanosoma brucei DNA topoisomerase ii 0.0027 0.0108 0.1244
Trichomonas vaginalis heat shock protein, putative 0.0105 0.0673 0.338
Brugia malayi Pre-SET motif family protein 0.0036 0.0176 0.0176
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0027 0.0108 0.0108
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0176 0.0176
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0054 0.0305 0.1529
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0027 0.0108 0.0108
Echinococcus multilocularis endoplasmin 0.0105 0.0673 0.0673
Echinococcus granulosus heat shock protein 0.0131 0.0868 0.0868
Plasmodium vivax heat shock protein, putative 0.0054 0.0305 0.351
Mycobacterium ulcerans putative regultory protein 0.0027 0.0108 0.1603
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0027 0.0108 0.0542
Trypanosoma brucei heat shock protein 90, putative 0.0131 0.0868 1
Schistosoma mansoni DNA topoisomerase II 0.0027 0.0108 0.0108
Echinococcus granulosus heat shock protein 90 0.0105 0.0673 0.0673
Plasmodium vivax DNA gyrase subunit B, putative 0.0027 0.0108 0.1244
Echinococcus multilocularis heat shock protein 90 0.0105 0.0673 0.0673
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Onchocerca volvulus 0.0286 0.1992 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0027 0.0108 0.1244
Trypanosoma brucei heat shock protein, putative 0.0131 0.0868 1
Plasmodium falciparum DNA gyrase subunit B 0.0027 0.0108 0.1244
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0054 0.0305 0.351
Trichomonas vaginalis DNA topoisomerase II, putative 0.0027 0.0108 0.0542
Entamoeba histolytica heat shock protein 90, putative 0.0131 0.0868 1
Trypanosoma brucei heat shock protein 90, putative 0.0131 0.0868 1
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0027 0.0108 0.0542
Echinococcus multilocularis heat shock protein 90 0.0131 0.0868 0.0868
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1992 1
Plasmodium vivax DNA topoisomerase II, putative 0.0027 0.0108 0.1244
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0105 0.0673 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0027 0.0108 0.1244
Trypanosoma brucei heat shock protein 84, putative 0.0054 0.0305 0.351
Trichomonas vaginalis receptor histidine kinase, putative 0.0027 0.0108 0.0542
Loa Loa (eye worm) endoplasmin 0.0131 0.0868 0.0868
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0027 0.0108 0.1244
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0027 0.0108 0.0108
Plasmodium vivax SET domain protein, putative 0.0036 0.0176 0.2023
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0176 0.0176
Brugia malayi Pre-SET motif family protein 0.0251 0.174 0.174
Schistosoma mansoni hypothetical protein 0.0205 0.14 0.14
Brugia malayi Endoplasmin precursor 0.0131 0.0868 0.0868
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0027 0.0108 0.1244
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0105 0.0673 0.7443
Echinococcus granulosus muscleblind protein 0.018 0.1224 0.1224
Entamoeba histolytica DNA topoisomerase II, putative 0.0027 0.0108 0.1244
Schistosoma mansoni endoplasmin 0.0131 0.0868 0.0868
Trypanosoma brucei heat shock protein, putative 0.0131 0.0868 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0105 0.0673 1
Trypanosoma brucei heat shock protein, putative 0.0131 0.0868 1
Schistosoma mansoni heat shock protein 0.0131 0.0868 0.0868
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0027 0.0108 0.1603
Trypanosoma cruzi heat shock protein 85, putative 0.0131 0.0868 1
Trichomonas vaginalis sensor histidine kinase, putative 0.0027 0.0108 0.0542
Schistosoma mansoni endoplasmin 0.0131 0.0868 0.0868
Mycobacterium ulcerans two component sensor kinase MprB 0.0027 0.0108 0.1603
Mycobacterium ulcerans two component regulator - sensor kinase 0.0027 0.0108 0.1603
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0027 0.0108 0.1244
Trypanosoma brucei developmentally regulated phosphoprotein 0.0027 0.0108 0.1244
Loa Loa (eye worm) hypothetical protein 0.0027 0.0108 0.0108
Schistosoma mansoni hypothetical protein 0.0205 0.14 0.14
Mycobacterium leprae Probable two-component sensor kinase 0.0027 0.0108 0.1603
Giardia lamblia Heat shock protein HSP 90-alpha 0.0105 0.0673 0.7761
Echinococcus multilocularis heat shock protein 0.0131 0.0868 0.0868
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0027 0.0108 0.0542
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0027 0.0108 0.1244
Loa Loa (eye worm) heat shock protein 75 0.0054 0.0305 0.0305
Toxoplasma gondii Hsp90 domain-containing protein 0.0054 0.0305 0.351
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0027 0.0108 0.0108
Loa Loa (eye worm) heat shock protein 90 0.0131 0.0868 0.0868
Plasmodium vivax heat shock protein 90, putative 0.0054 0.0305 0.351
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.174 0.174
Loa Loa (eye worm) hypothetical protein 0.018 0.1224 0.1224
Plasmodium falciparum heat shock protein 90 0.0131 0.0868 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0176 0.0176
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0176 0.0176
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0027 0.0108 0.1603
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Echinococcus granulosus MAP kinase activated protein kinase 2 0.1388 1 1
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Trypanosoma brucei heat shock protein, putative 0.0131 0.0868 1
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0166 0.0166
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0105 0.0673 0.0673
Echinococcus multilocularis muscleblind protein 0.018 0.1224 0.1224
Loa Loa (eye worm) TOPoisomerase family member 0.0027 0.0108 0.0108
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.1388 1 1
Trypanosoma brucei Heat shock protein 83, putative 0.0131 0.0868 1
Brugia malayi Probable DNA topoisomerase II 0.0027 0.0108 0.0108
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0105 0.0673 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0131 0.0868 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0027 0.0108 0.0542
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Trypanosoma cruzi heat shock protein 90, putative 0.0105 0.0673 0.7761
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0027 0.0108 0.1603
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0176 0.0176
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0027 0.0108 0.1244
Trichomonas vaginalis heat shock protein, putative 0.0081 0.0499 0.2504
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Trichomonas vaginalis heat shock protein, putative 0.0105 0.0673 0.338
Trichomonas vaginalis receptor histidine kinase, putative 0.0027 0.0108 0.0542
Giardia lamblia Pms1-like protein 0.0027 0.0108 0.1244
Giardia lamblia Grp94/Hsp90 0.0105 0.0673 0.7761
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0176 0.2023
Leishmania major heat shock protein, putative 0.0054 0.0305 0.2588
Entamoeba histolytica heat shock protein 90, putative 0.0131 0.0868 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0027 0.0108 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0027 0.0108 0.0542
Trypanosoma cruzi heat shock protein 85, putative 0.0105 0.0673 0.7761
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0027 0.0108 0.1603
Toxoplasma gondii heat shock protein 75, putative 0.0054 0.0305 0.351
Echinococcus granulosus heat shock protein 90 0.0131 0.0868 0.0868
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0027 0.0108 0.1603
Brugia malayi Hsp90 protein 0.0054 0.0305 0.0305
Toxoplasma gondii heat shock protein HSP90 0.0131 0.0868 1
Echinococcus granulosus geminin 0.0205 0.14 0.14
Chlamydia trachomatis DNA gyrase subunit B 0.0027 0.0108 1
Plasmodium vivax hypothetical protein, conserved 0.0027 0.0108 0.1244
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0027 0.0108 0.1244
Plasmodium vivax heat shock protein 86, putative 0.0131 0.0868 1
Toxoplasma gondii heat shock protein 90, putative 0.0131 0.0868 1
Schistosoma mansoni heat shock protein 0.0054 0.0305 0.0305
Trypanosoma cruzi heat shock protein, putative 0.0054 0.0305 0.351
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0027 0.0108 0.1603
Trypanosoma brucei heat shock protein, putative 0.0131 0.0868 1
Treponema pallidum heat shock protein 90 0.0105 0.0673 1
Trichomonas vaginalis endoplasmin, putative 0.0081 0.0499 0.2504
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0027 0.0108 0.1603
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0054 0.0305 0.0305
Echinococcus multilocularis muscleblind protein 1 0.018 0.1224 0.1224
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5969 0.5969
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0027 0.0108 0.1603
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0027 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.018 0.1224 0.1224
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0027 0.0108 0.0542
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0027 0.0108 0.1603
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0027 0.0108 0.1603
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0027 0.0108 0.1603
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0027 0.0108 0.0108
Brugia malayi heat shock protein 90 0.0131 0.0868 0.0868
Plasmodium falciparum heat shock protein 90, putative 0.0054 0.0305 0.351
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0027 0.0108 0.1244
Loa Loa (eye worm) hypothetical protein 0.0036 0.0176 0.0176
Trypanosoma cruzi DNA topoisomerase II, putative 0.0027 0.0108 0.1244
Trypanosoma cruzi heat shock protein 90, putative 0.0131 0.0868 1
Brugia malayi kinase, mitochondrial precursor 0.0027 0.0108 0.0108
Trichomonas vaginalis heat shock protein, putative 0.0105 0.0673 0.338
Plasmodium vivax endoplasmin, putative 0.0131 0.0868 1
Trypanosoma brucei heat shock protein, putative 0.0131 0.0868 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0054 0.0305 0.0305
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0027 0.0108 0.1603
Loa Loa (eye worm) hypothetical protein 0.0027 0.0108 0.0108
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0027 0.0108 0.1603
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5969 0.5969
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Echinococcus granulosus endoplasmin 0.0105 0.0673 0.0673
Schistosoma mansoni pyruvate dehydrogenase 0.0027 0.0108 0.0108
Chlamydia trachomatis DNA gyrase subunit B 0.0027 0.0108 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0027 0.0108 0.0108
Trypanosoma brucei heat shock protein, putative 0.0131 0.0868 1
Brugia malayi Muscleblind-like protein 0.018 0.1224 0.1224
Mycobacterium ulcerans heat shock protein 90 0.0105 0.0673 1
Trypanosoma cruzi heat shock protein 85, putative 0.0131 0.0868 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0027 0.0108 0.1603
Trypanosoma brucei heat shock protein, putative 0.0131 0.0868 1
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0027 0.0108 0.1603
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0027 0.0108 0.1244
Plasmodium falciparum DNA topoisomerase 2 0.0027 0.0108 0.1244
Schistosoma mansoni heat shock protein 0.0131 0.0868 0.0868
Trypanosoma cruzi heat shock protein 85, putative 0.0131 0.0868 1
Plasmodium falciparum heat shock protein 90, putative 0.0054 0.0305 0.351
Trypanosoma cruzi heat shock protein 90, putative 0.0078 0.0477 0.5495
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0176 0.0176
Leishmania major heat shock protein 83-1 0.0131 0.0868 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0176 0.0176
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5969 0.5969
Trichomonas vaginalis heat shock protein, putative 0.0131 0.0868 0.4356
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.1388 1 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0027 0.0108 0.0542

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.3548 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 (functional) 0.5221 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 (binding) 1.2589 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 3.5481 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.581 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) 17.7828 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 100 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

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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