Detailed information for compound 1236638

Basic information

Technical information
  • TDR Targets ID: 1236638
  • Name: 3-(3,4-dimethoxyphenyl)-1-[4-(2-oxopyrrolidin -1-yl)phenyl]urea
  • MW: 355.388 | Formula: C19H21N3O4
  • H donors: 2 H acceptors: 2 LogP: 1.85 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)NC(=O)Nc1ccc(cc1)N1CCCC1=O
  • InChi: 1S/C19H21N3O4/c1-25-16-10-7-14(12-17(16)26-2)21-19(24)20-13-5-8-15(9-6-13)22-11-3-4-18(22)23/h5-10,12H,3-4,11H2,1-2H3,(H2,20,21,24)
  • InChiKey: LUOBDZXNJCBBFL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3,4-dimethoxyphenyl)-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]urea
  • 3-(3,4-dimethoxyphenyl)-1-[4-(2-ketopyrrolidin-1-yl)phenyl]urea
  • Oprea1_587226
  • ZINC01084488
  • MLS000112941
  • SMR000108848
  • ST027629
  • TimTec1_002102

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) kappa Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric 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
Leishmania major DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi polk-prov protein Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis DNA polymerase IV / kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus granulosus dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania braziliensis DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis DNA polymerase eta, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Giardia lamblia DINP protein human, muc B family Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma congolense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K03511 DNA polymerase kappa subunit, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Loa Loa (eye worm) hypothetical protein 0.0043 0.0223 0.0202
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0096 0.0872 0.1823
Echinococcus multilocularis aldo keto reductase 0.0331 0.3784 0.3642
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.3784 0.3642
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.015 0.0396
Loa Loa (eye worm) beta-lactamase 0.0043 0.0223 0.0202
Mycobacterium ulcerans hypothetical protein 0.0096 0.0872 0.1823
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0299 0.079
Mycobacterium tuberculosis Conserved protein 0.0096 0.0872 0.2305
Schistosoma mansoni survival motor neuron protein 0.0058 0.0406 0.0187
Mycobacterium ulcerans DNA polymerase IV 0.005 0.0299 0.0212
Onchocerca volvulus 0.0331 0.3784 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0096 0.0872 0.1823
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0299 0.0212
Trichomonas vaginalis aldo/keto reductase, putative 0.0331 0.3784 1
Loa Loa (eye worm) oxidoreductase 0.0331 0.3784 1
Loa Loa (eye worm) hypothetical protein 0.0331 0.3784 1
Giardia lamblia Aldose reductase 0.0331 0.3784 1
Plasmodium falciparum aldo-keto reductase, putative 0.0096 0.0872 0.5
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0096 0.0872 0.2305
Loa Loa (eye worm) hypothetical protein 0.0043 0.0223 0.0202
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Brugia malayi hypothetical protein 0.0286 0.322 0.8448
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0223 0.059
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0331 0.3784 1
Schistosoma mansoni hypothetical protein 0.0058 0.0406 0.0187
Onchocerca volvulus 0.0058 0.0406 0.0513
Echinococcus multilocularis aldehyde reductase 0.0235 0.2597 0.2427
Mycobacterium tuberculosis Probable oxidoreductase 0.0331 0.3784 1
Schistosoma mansoni pol-related 0.0331 0.3784 0.3642
Schistosoma mansoni aldo-keto reductase 0.0331 0.3784 0.3642
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.3784 0.3642
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.0299 0.079
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni aldo-keto reductase 0.0331 0.3784 0.3642
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0096 0.0872 0.1988
Trypanosoma cruzi aldo-keto reductase 0.0331 0.3784 1
Toxoplasma gondii aldo-keto reductase 0.0096 0.0872 0.1823
Trypanosoma cruzi aldo/keto reductase, putative 0.0331 0.3784 1
Echinococcus multilocularis aldo keto reductase 0.0331 0.3784 0.3642
Trypanosoma brucei prostaglandin f synthase 0.0331 0.3784 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0331 0.3784 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0299 0.079
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Echinococcus multilocularis aldo keto reductase 0.0331 0.3784 0.3642
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0223 0.059
Trypanosoma brucei unspecified product 0.0042 0.02 0.0529
Brugia malayi beta-lactamase family protein 0.0043 0.0223 0.0202
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Echinococcus granulosus aldo keto reductase 0.0331 0.3784 0.3642
Echinococcus granulosus voltage gated potassium channel subunit 0.0096 0.0872 0.0664
Trypanosoma brucei aldo/keto reductase, putative 0.0096 0.0872 0.2305
Brugia malayi beta-lactamase family protein 0.0043 0.0223 0.0202
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0299 0.079
Onchocerca volvulus 0.0331 0.3784 1
Loa Loa (eye worm) oxidoreductase 0.0331 0.3784 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0223 0.0202
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Entamoeba histolytica aldose reductase, putative 0.0331 0.3784 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0872 0.1823
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Onchocerca volvulus 0.0331 0.3784 1
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.0299 0.079
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0223 0.059
Echinococcus granulosus aldehyde reductase 0.0235 0.2597 0.2427
Trichomonas vaginalis aldo-keto reductase, putative 0.0096 0.0872 0.1823
Mycobacterium tuberculosis Conserved protein 0.0043 0.0223 0.059
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3123 0.8255
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Mycobacterium ulcerans oxidoreductase 0.0331 0.3784 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0299 0.0212
Echinococcus granulosus hypothetical protein 0.0331 0.3784 0.3642
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Echinococcus multilocularis aldo keto reductase 0.0331 0.3784 0.3642
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Mycobacterium leprae Conserved hypothetical protein 0.0235 0.2597 0.6666
Echinococcus multilocularis voltage gated potassium channel subunit 0.0096 0.0872 0.0664
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Leishmania major prostaglandin f synthase, putative 0.0331 0.3784 1
Entamoeba histolytica aldose reductase, putative 0.0331 0.3784 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0223 0.0202
Loa Loa (eye worm) hypothetical protein 0.0043 0.0223 0.0202
Plasmodium falciparum aldehyde reductase, putative 0.0096 0.0872 0.5
Echinococcus granulosus aldo keto reductase 0.0331 0.3784 0.3642
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0299 0.0212
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.322 0.3065
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0331 0.3784 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0223 0.0202
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Onchocerca volvulus 0.0096 0.0872 0.1823
Trichomonas vaginalis aldo-keto reductase, putative 0.0096 0.0872 0.1823
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.3784 0.3642
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0331 0.3784 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.3784 0.3642
Schistosoma mansoni potassium channel beta 0.0096 0.0872 0.0664
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.0299 0.0212
Loa Loa (eye worm) oxidoreductase 0.0331 0.3784 1
Echinococcus multilocularis dna polymerase kappa 0.005 0.0299 0.0077
Entamoeba histolytica aldose reductase, putative 0.0331 0.3784 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0096 0.0872 0.1823
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0096 0.0872 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0299 0.079
Loa Loa (eye worm) oxidoreductase 0.0331 0.3784 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0223 0.059
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0223 0.059
Trichomonas vaginalis aldo-keto reductase, putative 0.0096 0.0872 0.1823
Trichomonas vaginalis aldo/keto reductase, putative 0.0331 0.3784 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.3784 0.3642
Mycobacterium ulcerans DNA polymerase IV 0.005 0.0299 0.0212
Plasmodium vivax aldehyde reductase, putative 0.0096 0.0872 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0331 0.3784 1
Onchocerca volvulus 0.0331 0.3784 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Leishmania major hypothetical protein, conserved 0.0043 0.0223 0.059
Onchocerca volvulus 0.0331 0.3784 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.005 0.0299 0.0212
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0299 0.079
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0299 0.079
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0299 0.079
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0331 0.3784 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.322 0.3065
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0299 0.079
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Mycobacterium leprae Possible oxidoreductase 0.0096 0.0872 0.1823
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0223 0.059
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.3784 0.3642
Loa Loa (eye worm) hypothetical protein 0.0043 0.0223 0.0202
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0406 0.0705
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0331 0.3784 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0223 0.059
Leishmania major aldo-keto reductase-like protein 0.0331 0.3784 1
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.02 0.0529
Echinococcus granulosus aldo keto reductase 0.0331 0.3784 0.3642
Echinococcus granulosus dna polymerase kappa 0.005 0.0299 0.0077
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0096 0.0872 0.0664
Onchocerca volvulus 0.0331 0.3784 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.322 0.8448
Loa Loa (eye worm) oxidoreductase 0.0331 0.3784 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0331 0.3784 1
Giardia lamblia Aldose reductase 0.0331 0.3784 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0223 0.059
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0096 0.0872 0.1988
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0223 0.059
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0096 0.0872 0.1823
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0331 0.3784 1
Trichomonas vaginalis DNA polymerase eta, putative 0.005 0.0299 0.0212
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0223 0.0202
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.015 0.0396
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.3784 0.3642
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0331 0.3784 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0299 0.079
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.3784 0.3642
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0331 0.3784 0.3642
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0331 0.3784 1
Trypanosoma brucei aldo-keto reductase, putative 0.0331 0.3784 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0331 0.3784 0.3642
Brugia malayi NADH-dependent xylose reductase 0.0096 0.0872 0.1988
Trichomonas vaginalis aldo-keto reductase, putative 0.0331 0.3784 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0223 0.059
Brugia malayi beta-lactamase 0.0043 0.0223 0.0202
Toxoplasma gondii aldose reductase, putative 0.0331 0.3784 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (binding) = 8.9125 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.