Detailed information for compound 1586856

Basic information

Technical information
  • TDR Targets ID: 1586856
  • Name: methyl 2-amino-4-(3-hydroxypropyl)-6-undecyl- 3,6-dihydropyrimidine-5-carboxylate
  • MW: 367.526 | Formula: C20H37N3O3
  • H donors: 3 H acceptors: 2 LogP: 4.18 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCC1NC(=NC(=C1C(=O)OC)CCCO)N
  • InChi: 1S/C20H37N3O3/c1-3-4-5-6-7-8-9-10-11-13-16-18(19(25)26-2)17(14-12-15-24)23-20(21)22-16/h16,24H,3-15H2,1-2H3,(H3,21,22,23)
  • InChiKey: BWFIOIDJTVTWPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-4-(3-hydroxypropyl)-6-undecyl-3,6-dihydropyrimidine-5-carboxylic acid methyl ester
  • NCI60_022628
  • Pyrimidine-5-carboxylic acid, 2-amino-4-hendecyl- 1,4-dihydro-6-(3-hydroxypropyl)-, methyl ester
  • AIDS-143865
  • AIDS143865
  • Methyl 6-(3-hydroxypropyl)-2-imino-4-undecyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
  • NSC665602

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens small ubiquitin-like modifier 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens proteasome (prosome, macropain) 26S subunit, non-ATPase, 14 Starlite/ChEMBL No references
Homo sapiens RAD52 homolog (S. cerevisiae) Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva proteasome regulatory subunit, putative Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus multilocularis 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Toxoplasma gondii proteasome regulatory subunit Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania major small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Giardia lamblia Sentrin Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania donovani proteasome regulatory non-ATPase subunit 11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus granulosus Small ubiquitin modifier 2 Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium berghei 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Cryptosporidium hominis Mov34/MPN/PAD-1 family proteasome regulatory subunit Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma japonicum Small ubiquitin-related modifier 2 precursor, putative Get druggable targets OG5_127053 All targets in OG5_127053
Entamoeba histolytica 26S proteasome non-ATPase regulatory subunit 14, putative Get druggable targets OG5_127757 All targets in OG5_127757
Neospora caninum hypothetical protein Get druggable targets OG5_127053 All targets in OG5_127053
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
Trichomonas vaginalis Clan MP, family M67, Poh1-like metallopeptidase Get druggable targets OG5_127757 All targets in OG5_127757
Babesia bovis 26S proteasome regulatory subunit, putative Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania braziliensis small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania donovani small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Trypanosoma brucei proteasome regulatory non-ATPase subunit 11 Get druggable targets OG5_127757 All targets in OG5_127757
Entamoeba histolytica DNA repair and recombination protein RAD52, putative Get druggable targets OG5_130806 All targets in OG5_130806
Giardia lamblia DNA repair protein RAD52 Get druggable targets OG5_130806 All targets in OG5_130806
Babesia bovis ubiquitin-like protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Candida albicans kinetochore protein Get druggable targets OG5_127053 All targets in OG5_127053
Brugia malayi Ubiquitin-like protein SMT3 Get druggable targets OG5_127053 All targets in OG5_127053
Theileria parva ubiquitin, putative Get druggable targets OG5_127053 All targets in OG5_127053
Trypanosoma brucei small ubiquitin-related modifier Get druggable targets OG5_127053 All targets in OG5_127053
Loa Loa (eye worm) 26S proteasome regulatory subunit rpn11 Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium berghei small ubiquitin-related modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Echinococcus granulosus 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Candida albicans kinetochore protein Get druggable targets OG5_127053 All targets in OG5_127053
Echinococcus multilocularis Small ubiquitin modifier 2 Get druggable targets OG5_127053 All targets in OG5_127053
Loa Loa (eye worm) SMO-1 protein Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium falciparum small ubiquitin-related modifier Get druggable targets OG5_127053 All targets in OG5_127053
Trichomonas vaginalis Clan MP, family M67, Poh1-like metallopeptidase Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania braziliensis proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma brucei gambiense proteasome regulatory non-ATPase subunit 11,19S proteasome regulatory subunit, Metallo-peptidase, Clan MP, Family M67, putative Get druggable targets OG5_127757 All targets in OG5_127757
Brugia malayi Hypothetical 35.8 kDa protein F37A4.5 in chromosome III Get druggable targets OG5_127757 All targets in OG5_127757
Neospora caninum CBR-CSN-5 protein, related Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium vivax 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma brucei proteasome regulatory non-ATPase subunit 11 Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium knowlesi small ubiquitin-related modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_127053 All targets in OG5_127053
Giardia lamblia Non ATPase subunit MPR1 of 26S proteasome Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma japonicum ko:K03030 26S proteasome regulatory subunit N11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania mexicana proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Trichomonas vaginalis Clan MP, family M67, Poh1-like metallopeptidase Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium yoelii Mov34/MPN/PAD-1 family, putative Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania infantum small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Cryptosporidium parvum 26S proteasome-associated Mov34/MPN/PAD-1 family. JAB domain. Get druggable targets OG5_127757 All targets in OG5_127757
Candida albicans similar to S. cerevisiae RPN11 (YFR004W) deubiquitinylating metalloisopeptidase subunit of the 19S regulatory particle of the 26 Get druggable targets OG5_127757 All targets in OG5_127757
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127053 All targets in OG5_127053
Brugia malayi 26S proteasome regulatory subunit rpn11 Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus multilocularis 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Entamoeba histolytica ubiquitin like protein Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania infantum proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Loa Loa (eye worm) proteasome 26S subunit Get druggable targets OG5_127757 All targets in OG5_127757
Toxoplasma gondii small ubiquitin family modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Trypanosoma brucei gambiense proteasome regulatory non-ATPase subunit 11,19S proteasome regulatory subunit, Metallo-peptidase, Clan MP, Family M67 Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma brucei gambiense small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium knowlesi 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania mexicana small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Cryptosporidium hominis ubiquitin-like protein Get druggable targets OG5_127053 All targets in OG5_127053
Trypanosoma cruzi proteasome regulatory non-ATPase subunit 11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania major proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium falciparum 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus granulosus 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma cruzi small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Trypanosoma cruzi small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium vivax small ubiquitin-related modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Plasmodium falciparum 6-cysteine protein small ubiquitin-like modifier 1 101 aa 92 aa 28.3 %
Trypanosoma brucei COP9 signalosome complex subunit 5, putative proteasome (prosome, macropain) 26S subunit, non-ATPase, 14 310 aa 258 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica acyl-CoA synthetase, putative 0.0136 0.0512 0.2597
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.198 1 1
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0183 0.0752 0.0752
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0119 0.0119
Mycobacterium ulcerans proteasome PrcA 0.0933 0.4611 0.4482
Schistosoma mansoni hypothetical protein 0.0205 0.0862 0.0862
Mycobacterium tuberculosis Conserved hypothetical protein 0.0441 0.2081 0.1654
Brugia malayi hypothetical protein 0.0373 0.1729 0.1729
Loa Loa (eye worm) hypothetical protein 0.0136 0.0512 0.0512
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0136 0.0512 0.0285
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0681 0.3313 0.3313
Toxoplasma gondii type I fatty acid synthase, putative 0.0136 0.0512 1
Mycobacterium ulcerans polyketide synthase Pks9 0.0136 0.0512 0.0285
Schistosoma mansoni acyl carrier protein 0.0136 0.0512 0.0512
Mycobacterium ulcerans membrane protein ComEA 0.0441 0.2081 0.1892
Chlamydia trachomatis acyl carrier protein 0.0136 0.0512 0.5
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0681 0.3313 0.3153
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0136 0.0512 0.0512
Onchocerca volvulus 0.0136 0.0512 0.0553
Entamoeba histolytica acyl-CoA synthetase, putative 0.0136 0.0512 0.2597
Loa Loa (eye worm) hypothetical protein 0.0373 0.1729 0.1729
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.198 1 1
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0136 0.0512 0.0512
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0136 0.0512 0.0285
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0021 0.0021
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0136 0.0512 0.0512
Echinococcus granulosus acyl carrier protein mitochondrial 0.0136 0.0512 0.0512
Giardia lamblia DNA repair protein RAD52 0.042 0.197 1
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0136 0.0512 0.0285
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0681 0.3313 0.2952
Brugia malayi Phosphopantetheine attachment site family protein 0.0136 0.0512 0.0512
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0183 0.0752 0.0752
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.198 1 1
Brugia malayi AMP-binding enzyme family protein 0.0136 0.0512 0.0512
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0136 0.0512 0.0512
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0136 0.0512 0.0512
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.198 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0119 0.0119
Mycobacterium ulcerans acyl-CoA synthetase 0.0136 0.0512 0.0285
Loa Loa (eye worm) hypothetical protein 0.006 0.0119 0.0119
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0136 0.0512 0.0512
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.198 1 1
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.198 1 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0136 0.0512 0.0285
Loa Loa (eye worm) hypothetical protein 0.0041 0.0021 0.0021
Onchocerca volvulus 0.0183 0.0752 0.1031
Brugia malayi NADH dehydrogenase subunit 1 0.0183 0.0752 0.0752
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.0681 0.3313 0.2952
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0136 0.0512 0.0512
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0119 0.0424 0.2153
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.198 1 1
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.1061 0.5272 1
Plasmodium falciparum acyl carrier protein 0.0136 0.0512 1
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0183 0.0752 0.0254
Schistosoma mansoni single-minded 0.0111 0.0382 0.0382
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0136 0.0512 0.0512
Brugia malayi hypothetical protein 0.0183 0.0752 0.0752
Onchocerca volvulus 0.0136 0.0512 0.0553
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0136 0.0512 0.0512
Schistosoma mansoni aryl hydrocarbon receptor 0.0111 0.0382 0.0382
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0136 0.0512 1
Treponema pallidum nitrogen fixation protein (rnfC) 0.0441 0.2081 1
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.198 1 1
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0136 0.0512 0.0285
Toxoplasma gondii acyl carrier protein ACP 0.0136 0.0512 1
Mycobacterium ulcerans polyketide synthase 0.0136 0.0512 0.0285
Mycobacterium ulcerans Type I modular polyketide synthase 0.0136 0.0512 0.0285
Schistosoma mansoni hypothetical protein 0.0041 0.0021 0.0021
Loa Loa (eye worm) acyl carrier protein 0.0136 0.0512 0.0512
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0119 0.0119
Onchocerca volvulus Fatty acid synthase homolog 0.0136 0.0512 0.0553
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0136 0.0512 0.0285
Toxoplasma gondii type I fatty acid synthase, putative 0.0136 0.0512 1
Onchocerca volvulus 0.0183 0.0752 0.1031
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.198 1 1
Brugia malayi bHLH-PAS transcription factor 0.0082 0.0233 0.0233
Brugia malayi AMP-binding enzyme family protein 0.0136 0.0512 0.0512
Echinococcus granulosus NADH dehydrogenase 0.0136 0.0512 0.0512
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.042 0.197 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0136 0.0512 0.0285
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0136 0.0512 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0344 0.1581 0.1581
Echinococcus granulosus AMP dependent ligase 0.0136 0.0512 0.0512
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.198 1 1
Echinococcus granulosus single minded 2 0.0082 0.0233 0.0233
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0136 0.0512 0.0285
Schistosoma mansoni hypothetical protein 0.0205 0.0862 0.0862
Echinococcus multilocularis AMP dependent ligase 0.0136 0.0512 0.0512
Leishmania major acyl carrier protein, putative 0.0136 0.0512 0.0512
Mycobacterium ulcerans acyl carrier protein 0.0136 0.0512 0.0285
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0183 0.0752 0.0532
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0136 0.0512 0.0285
Entamoeba histolytica hypothetical protein 0.0119 0.0424 0.2153
Mycobacterium ulcerans acyl carrier protein 0.0136 0.0512 0.0285
Brugia malayi hypoxia-induced factor 1 0.0344 0.1581 0.1581
Plasmodium vivax acyl carrier protein, putative 0.0136 0.0512 1
Schistosoma mansoni hypothetical protein 0.0681 0.3313 0.3313
Echinococcus multilocularis transfer RNA-Lys 0.0082 0.0233 0.0233
Echinococcus multilocularis NADH dehydrogenase 0.0136 0.0512 0.0512
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0136 0.0512 0.0553
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.198 1 1
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0933 0.4611 0.432
Mycobacterium ulcerans polyketide synthase Pks13 0.0136 0.0512 0.0285
Mycobacterium ulcerans Type I modular polyketide synthase 0.0136 0.0512 0.0285
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.198 1 1
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.198 1 1
Mycobacterium ulcerans polyketide synthase MbtD 0.0136 0.0512 0.0285
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0136 0.0512 0.0285
Mycobacterium ulcerans polyketide synthase 0.0136 0.0512 0.0285
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0183 0.0752 0.0752
Mycobacterium leprae probable proteasome (alpha subunit) PrcA 0.0933 0.4611 1
Loa Loa (eye worm) acyl carrier protein 0.0136 0.0512 0.0512
Echinococcus granulosus geminin 0.0205 0.0862 0.0862
Schistosoma mansoni hypothetical protein 0.0136 0.0512 0.0512
Echinococcus multilocularis geminin 0.0205 0.0862 0.0862
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.198 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0136 0.0512 0.0285
Brugia malayi PAS domain containing protein 0.0111 0.0382 0.0382
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0136 0.0512 0.0285
Mycobacterium ulcerans hypothetical protein 0.0136 0.0512 0.0285
Onchocerca volvulus 0.0136 0.0512 0.0553
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0136 0.0512 0.0285

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 7.72 uM PubChem BioAssay. FRET-based HTS for detection of RAD52 Inhibitors Measured in Biochemical System Using Plate Reader - 7018-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.848 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.681 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.649 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.613 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.607 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.528 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.451 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.375 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.291 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.029 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.815 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 10.1 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of SUMO1-mediated protein-protein interactions using a fluorescence resonance energy transfer assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 19.9 uM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a Fluorescence Polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 42.3 uM PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 66.6 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of SUMO1-mediated protein-protein interactions using a fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 85.8 uM PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a MMP-2 Fluorescence assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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 alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 42.2841 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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.

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