Detailed information for compound 1412802

Basic information

Technical information
  • TDR Targets ID: 1412802
  • Name: T5558808
  • MW: 225.243 | Formula: C14H11NO2
  • H donors: 1 H acceptors: 3 LogP: 2.27 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)C(=O)/C=C/c1cccnc1
  • InChi: 1S/C14H11NO2/c16-13-5-1-4-12(9-13)14(17)7-6-11-3-2-8-15-10-11/h1-10,16H/b7-6+
  • InChiKey: QSMSQDPZHFLUOL-VOTSOKGWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH1 domain containing protein 0.001 0.0131 0.0189
Giardia lamblia DINP protein human, muc B family 0.0023 0.0814 0.4295
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 0.3509
Loa Loa (eye worm) hypothetical protein 0.0012 0.0236 0.034
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.1896 1
Brugia malayi ecdysteroid receptor 0.0012 0.0252 0.0363
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0236 0.1244
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0252 0.0122
Schistosoma mansoni topbp1 0.0012 0.0236 0.0236
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0.0236 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0252 0.0122
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0252 0.0363
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0814 0.4295
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Trypanosoma brucei unspecified product 0.0016 0.0448 0.2362
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0814 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0252 0.0122
Loa Loa (eye worm) hypothetical protein 0.0023 0.0814 0.1174
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6937 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0814 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3509 0.5058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0252 0.0363
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0252 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1896 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0814 0.0692
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.0236 0.034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0252 0.0363
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Echinococcus granulosus dna polymerase eta 0.0023 0.0814 0.0692
Brugia malayi MH2 domain containing protein 0.001 0.0131 0.0189
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0252 0.0122
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0814 0.4295
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.0236 0.1244
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0252 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0448 0.2362
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0252 0.0363
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0252 0.0363
Loa Loa (eye worm) hypothetical protein 0.0012 0.0252 0.0363
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0814 0.1174
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0252 0.0122
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0252 0.0122
Loa Loa (eye worm) hypothetical protein 0.0012 0.0252 0.0363
Leishmania major DNA polymerase eta, putative 0.0023 0.0814 0.4295
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.0236 0.0236
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0448 0.2362
Brugia malayi nuclear receptor NHR-88 0.0012 0.0252 0.0363
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.0236 0.0106
Echinococcus granulosus nibrin 0.0012 0.0236 0.0106
Brugia malayi RNA binding protein 0.0076 0.3509 0.5058
Loa Loa (eye worm) hypothetical protein 0.0012 0.0236 0.034
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0252 0.0363
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0252 0.0363
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Schistosoma mansoni DNA polymerase eta 0.0023 0.0814 0.0814
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0252 0.0363
Brugia malayi MH1 domain containing protein 0.001 0.0131 0.0189
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0252 0.0252
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0252 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0252 0.0252
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3509 0.5058
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3509 0.3423
Loa Loa (eye worm) hypothetical protein 0.0045 0.1896 0.2733
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0814 1
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0.0236 0.1244
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0131 0.0189
Chlamydia trachomatis DNA ligase 0.0012 0.0236 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0814 0.3484
Brugia malayi nuclear hormone receptor 0.0012 0.0252 0.0363
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0131 0.0189
Brugia malayi steroid hormone receptor 0.0012 0.0252 0.0363
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3509 0.5058
Schistosoma mansoni smad1 5 8 and 0.001 0.0131 0.0131
Brugia malayi hypothetical protein 0.0012 0.0236 0.034
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0448 0.2362
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0252 0.0363
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1896 0.1788
Loa Loa (eye worm) hypothetical protein 0.0012 0.0236 0.034
Schistosoma mansoni DNA ligase IV 0.0012 0.0236 0.0236
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 0.3509
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Echinococcus multilocularis dna polymerase eta 0.0023 0.0814 0.0692
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.1896 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0814 0.0692
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1896 0.1788
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.1896 0.1788
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0252 0.0122
Onchocerca volvulus 0.0012 0.0252 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0814 0.3484
Brugia malayi Smad1 0.001 0.0131 0.0189
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0814 0.1174
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0.0236 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0.0131 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0252 0.0363
Schistosoma mansoni coup transcription factor 0.0012 0.0252 0.0252
Loa Loa (eye worm) hypothetical protein 0.0012 0.0252 0.0363
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0.0236 0.2897
Leishmania major DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0814 0.4295
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0252 0.0363
Brugia malayi DKFZp564C0469 protein 0.0012 0.0236 0.034
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.0236 0.034
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0252 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0252 0.0363
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.1896 0.1896
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0252 0.0252
Loa Loa (eye worm) hypothetical protein 0.0012 0.0252 0.0363
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0252 0.0252
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.1896 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0252 0.0363
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0252 0.0363
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0252 0.0363
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0252 0.0252
Loa Loa (eye worm) hypothetical protein 0.0012 0.0236 0.034
Trypanosoma brucei unspecified product 0.0023 0.0814 0.4295
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0252 0.0363
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0252 0.0122
Brugia malayi TAR-binding protein 0.0076 0.3509 0.5058
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1896 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0252 0.0363
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0252 0.0122
Schistosoma mansoni Smad4 0.001 0.0131 0.0131
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0252 0.0252
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.1896 0.1896
Loa Loa (eye worm) hypothetical protein 0.0012 0.0252 0.0363
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0252 0.0122
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0814 0.4295
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0252 0.0122
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1896 0.1788
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0252 0.0363
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0252 0.0363
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0252 0.0252
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0252 0.0122
Giardia lamblia Replication factor C, subunit 1 0.0012 0.0236 0.1244
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0252 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1896 1
Schistosoma mansoni topbp1 0.0012 0.0236 0.0236
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.0236 1
Brugia malayi topoisomerase 0.0012 0.0236 0.034
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0252 0.0252
Schistosoma mansoni smad 0.001 0.0131 0.0131
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0814 0.1174
Echinococcus multilocularis nibrin 0.0012 0.0236 0.0106
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0252 0.0363
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 0.3509
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1896 1
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.1896 0.1788
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0252 0.0363
Loa Loa (eye worm) Smad1 0.001 0.0131 0.0189
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.1896 0.2733
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0.0236 1
Brugia malayi hypothetical protein 0.0012 0.0236 0.034
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0814 0.4295
Trypanosoma brucei unspecified product 0.0016 0.0448 0.2362
Brugia malayi MH2 domain containing protein 0.0144 0.6937 1
Brugia malayi MH2 domain containing protein 0.001 0.0131 0.0189
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0814 0.0814
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Loa Loa (eye worm) RNA binding protein 0.0076 0.3509 0.5058
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0236 0.1244
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0252 0.0252
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0252 0.0122
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0.0236 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0252 0.0122
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0252 0.0252
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 0.3509
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0252 0.0252
Echinococcus granulosus dna polymerase kappa 0.0023 0.0814 0.0692
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0252 0.0252
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0252 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0252 0.0363
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0814 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0252 0.0363
Echinococcus granulosus replication factor c subunit 1 0.0012 0.0236 0.0106
Echinococcus multilocularis geminin 0.0205 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Loa Loa (eye worm) hypothetical protein 0.0012 0.0252 0.0363
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0252 0.0363
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0814 0.0692
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0252 0.0122
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 0.3509
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1896 0.1788
Schistosoma mansoni smad1 5 8 and 0.001 0.0131 0.0131
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0814 0.0814
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0252 0.0363
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.1896 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.3509 0.3423
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6937 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0012 0.0236 0.034
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1896 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0252 0.0363
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.0236 1
Treponema pallidum DNA ligase (lig) 0.0012 0.0236 0.5
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.0236 0.1244
Loa Loa (eye worm) hypothetical protein 0.0012 0.0236 0.034
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0814 0.3484
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0814 0.4295
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0814 0.4295

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 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
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference
Potency (functional) 89.1251 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) 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
Potency (binding) 199.5262 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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