Detailed information for compound 1192010

Basic information

Technical information
  • TDR Targets ID: 1192010
  • Name: (2-oxo-2-piperidin-1-ylethyl) 4-oxo-3H-phthal azine-1-carboxylate
  • MW: 315.324 | Formula: C16H17N3O4
  • H donors: 1 H acceptors: 5 LogP: 1.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCCC1)COC(=O)c1nnc(c2c1cccc2)O
  • InChi: 1S/C16H17N3O4/c20-13(19-8-4-1-5-9-19)10-23-16(22)14-11-6-2-3-7-12(11)15(21)18-17-14/h2-3,6-7H,1,4-5,8-10H2,(H,18,21)
  • InChiKey: MDXRXIUVNUWMHE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-oxo-2-(1-piperidyl)ethyl] 4-oxo-3H-phthalazine-1-carboxylate
  • 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-(1-piperidyl)ethyl] ester
  • 4-keto-3H-phthalazine-1-carboxylic acid (2-keto-2-piperidino-ethyl) ester
  • (2-oxo-2-piperidin-1-yl-ethyl) 4-oxo-3H-phthalazine-1-carboxylate
  • T5558970
  • Oprea1_489147
  • ZINC05166103

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0034 0.0149 0.0578
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0267 0.2578 0.9578
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0251 0.0972
Toxoplasma gondii methionine aminopeptidase 0.0267 0.2578 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0251 0.0972
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0096 0.0372
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0251 0.0931
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0096 0.0372
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0104 0.0312
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.2277 0.2277
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0373 0.0373
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0267 0.2578 1
Toxoplasma gondii proliferation-associated protein 2G4, putative 0.0034 0.0149 0.0134
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0096 0.5245
Leishmania major DNA polymerase eta, putative 0.0032 0.0128 0.0495
Giardia lamblia Methionine aminopeptidase 0.0034 0.0149 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0183 0.0273
Leishmania major aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Echinococcus granulosus lysosomal alpha glucosidase 0.0167 0.1534 0.4592
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0373 0.1447
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0183 0.0788
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0034 0.0149 0.0578
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0096 0.0372
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0303 0.1177
Plasmodium falciparum proliferation-associated protein 2g4, putative 0.0034 0.0149 0.0502
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0267 0.2578 1
Mycobacterium leprae Probable cytoplasmic peptidase PepQ 0.0034 0.0149 0.0213
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0251 0.0972
Trypanosoma brucei Metallopeptidase family M24, putative 0.0034 0.0149 0.0578
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0466 0.1808
Echinococcus multilocularis tumor protein p63 0.034 0.334 0.334
Toxoplasma gondii ABC1 family protein 0.0043 0.0251 0.0548
Schistosoma mansoni hypothetical protein 0.0049 0.0303 0.1177
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0096 0.0356
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0466 0.1808
Loa Loa (eye worm) RNA binding protein 0.0064 0.0466 0.1808
Mycobacterium tuberculosis Probable cytoplasmic peptidase PepQ 0.0034 0.0149 0.0553
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0183 0.0548
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0251 0.1079
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Mycobacterium leprae Probable lipase LipE 0.0043 0.0251 0.0623
Toxoplasma gondii peptidase D, putative 0.0034 0.0149 0.0134
Onchocerca volvulus 0.0043 0.0251 0.0695
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0116 0.0116
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0267 0.1036
Loa Loa (eye worm) hypothetical protein 0.0043 0.0251 0.0972
Entamoeba histolytica hypothetical protein, conserved 0.0034 0.0149 0.8139
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0008 0.0031
Mycobacterium tuberculosis Conserved protein 0.0043 0.0251 0.0931
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0267 0.2578 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0183 1
Schistosoma mansoni alpha glucosidase 0.0037 0.0183 0.071
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0183 0.071
Onchocerca volvulus 0.0031 0.0116 0.0089
Echinococcus multilocularis xaa Pro dipeptidase 0.0034 0.0149 0.0149
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0034 0.0149 0.0238
Loa Loa (eye worm) hypothetical protein 0.0021 0.0021 0.008
Loa Loa (eye worm) hypothetical protein 0.0029 0.0096 0.0372
Echinococcus granulosus FACT complex subunit SPT16 0.0034 0.0149 0.0446
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0251 0.0972
Onchocerca volvulus 0.005 0.0316 0.0989
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0373 0.1117
Schistosoma mansoni hypothetical protein 0.0205 0.193 0.7484
Plasmodium falciparum FACT complex subunit SPT16, putative 0.0034 0.0149 0.0502
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0267 0.2578 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.1534 0.1534
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0034 0.0149 0.0578
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0116 0.0449
Brugia malayi Pre-SET motif family protein 0.0031 0.0116 0.0449
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0267 0.2578 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0149 0.0578
Plasmodium vivax SET domain protein, putative 0.0031 0.0116 0.0372
Schistosoma mansoni hypothetical protein 0.0205 0.193 0.7484
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0183 0.071
Echinococcus granulosus xaa Pro dipeptidase 0.0034 0.0149 0.0446
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0096 0.0372
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0373 0.1447
Trichomonas vaginalis esterase, putative 0.0043 0.0251 0.1079
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0466 0.1808
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0096 0.0372
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0034 0.0149 0.0578
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0267 0.2578 1
Toxoplasma gondii methionine aminopeptidase 0.0267 0.2578 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Echinococcus granulosus geminin 0.0205 0.193 0.5777
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0267 0.2578 1
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0034 0.0149 0.0578
Brugia malayi metallopeptidase family M24 containing protein 0.0034 0.0149 0.0578
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0183 0.0788
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0251 0.0972
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0466 0.1808
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0034 0.0149 0.0578
Echinococcus multilocularis methionine aminopeptidase, type I 0.0034 0.0149 0.0149
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0034 0.0149 0.0578
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0034 0.0149 0.0578
Plasmodium falciparum aminopeptidase P 0.0034 0.0149 0.0502
Treponema pallidum methionine aminopeptidase (map) 0.0267 0.2578 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Plasmodium falciparum methionine aminopeptidase 1c, putative 0.0034 0.0149 0.0502
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0251 0.0931
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0267 0.2578 0.2578
Brugia malayi initiation factor 2-associated protein. 0.0034 0.0149 0.0578
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0034 0.0149 0.0578
Schistosoma mansoni DNA polymerase eta 0.0045 0.0267 0.1036
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0466 0.1808
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0183 0.0788
Mycobacterium ulcerans hypothetical protein 0.0029 0.0096 0.0372
Loa Loa (eye worm) hypothetical protein 0.0043 0.0251 0.0972
Brugia malayi Glycosyl hydrolases family 31 protein 0.0167 0.1534 0.595
Trypanosoma cruzi aminopeptidase P, putative 0.0034 0.0149 0.0578
Brugia malayi beta-lactamase 0.0043 0.0251 0.0972
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0034 0.0149 0.0578
Brugia malayi hypothetical protein 0.0238 0.2277 0.8832
Brugia malayi beta-lactamase family protein 0.0043 0.0251 0.0972
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0021 0.0076
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0183 0.071
Mycobacterium ulcerans dipeptidase PepE 0.0034 0.0149 0.0578
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.2016 0.7818
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0008 0.0031
Giardia lamblia Xaa-Pro dipeptidase 0.0034 0.0149 1
Brugia malayi metallopeptidase family M24 containing protein 0.0034 0.0149 0.0578
Onchocerca volvulus 0.0043 0.0251 0.0695
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0183 0.0788
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0008 0.0031
Leishmania major hypothetical protein, conserved 0.0034 0.0149 0.0578
Plasmodium vivax proliferation-associated protein 2g4, putative 0.0034 0.0149 0.0502
Brugia malayi TAR-binding protein 0.0064 0.0466 0.1808
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0251 0.1079
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0251 0.0251
Echinococcus granulosus methionyl aminopeptidase 2 0.0034 0.0149 0.0446
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0251 0.1079
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0096 0.5245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0373 0.1117
Loa Loa (eye worm) hypothetical protein 0.0021 0.0021 0.008
Echinococcus granulosus dna polymerase eta 0.0045 0.0267 0.08
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0096 0.0372
Trypanosoma brucei glucosidase, putative 0.0037 0.0183 0.071
Echinococcus multilocularis dna polymerase eta 0.0045 0.0267 0.0267
Echinococcus granulosus Proliferation associated protein 2G4 0.0034 0.0149 0.0446
Loa Loa (eye worm) hypothetical protein 0.0034 0.0149 0.0578
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0373 0.1447
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0267 0.2578 1
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0466 0.1808
Toxoplasma gondii transcriptional elongation factor FACT140 0.0034 0.0149 0.0134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0116 0.0449
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0267 0.2578 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0034 0.0149 0.8139
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0167 0.1534 0.595
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0251 0.0972
Plasmodium vivax FACT complex subunit SPT16, putative 0.0034 0.0149 0.0502
Onchocerca volvulus 0.0096 0.0802 0.3171
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0267 0.2578 1
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0034 0.0149 0.0578
Mycobacterium tuberculosis Conserved protein 0.0043 0.0251 0.0931
Mycobacterium ulcerans beta-lactamase 0.0043 0.0251 0.0972
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0183 0.0788
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0251 0.0931
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0116 0.0449
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Toxoplasma gondii creatinase domain-containing protein 0.0034 0.0149 0.0134
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0267 0.2578 0.7718
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0267 0.2578 0.2578
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0128 0.0048
Brugia malayi RNA binding protein 0.0064 0.0466 0.1808
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.1534 0.1534
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0183 1
Mycobacterium ulcerans cytoplasmic peptidase PepQ 0.0034 0.0149 0.0578
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0096 0.0356
Brugia malayi metallopeptidase family M24 containing protein 0.0034 0.0149 0.0578
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0096 0.0372
Loa Loa (eye worm) hypothetical protein 0.0043 0.0251 0.0972
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.2277 0.6816
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0034 0.0149 0.0578
Brugia malayi Pre-SET motif family protein 0.0213 0.2016 0.7818
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0183 0.071
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0034 0.0149 0.0578
Trypanosoma cruzi aminopeptidase P1, putative 0.0034 0.0149 0.0578
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0183 0.0788
Loa Loa (eye worm) hypothetical protein 0.0045 0.0267 0.1036
Onchocerca volvulus 0.0043 0.0251 0.0695
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0183 0.0788
Loa Loa (eye worm) hypothetical protein 0.005 0.0316 0.1226
Onchocerca volvulus Dipeptidase C homolog 0.0034 0.0149 0.0238
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0466 0.1808
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0034 0.0149 0.0238
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0034 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0031 0.0116 0.0449
Giardia lamblia Xaa-Pro dipeptidase 0.0034 0.0149 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.0096 0.5245
Schistosoma mansoni alpha-glucosidase 0.0143 0.1292 0.5012
Mycobacterium ulcerans lipase LipD 0.0043 0.0251 0.0972
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0267 0.2578 0.9578
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0251 0.1079
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0034 0.0149 0.0578
Echinococcus multilocularis geminin 0.0205 0.193 0.193
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0466 0.0466
Entamoeba histolytica methionine aminopeptidase, putative 0.0034 0.0149 0.8139
Leishmania major DNA polymerase eta, putative 0.0045 0.0267 0.1036
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0267 0.2578 1
Leishmania major methionine aminopeptidase 2, putative 0.0034 0.0149 0.0578
Loa Loa (eye worm) hypothetical protein 0.0021 0.0021 0.008
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0267 0.1036
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0096 0.0372
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0034 0.0149 0.0578
Chlamydia trachomatis aminopeptidase P 0.0034 0.0149 0.0502
Echinococcus multilocularis Proliferation associated protein 2G4 0.0034 0.0149 0.0149
Echinococcus multilocularis FACT complex subunit SPT16 0.0034 0.0149 0.0149
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0373 0.1447
Mycobacterium ulcerans dipeptidase 0.0034 0.0149 0.0578
Echinococcus multilocularis methionyl aminopeptidase 2 0.0034 0.0149 0.0149
Mycobacterium tuberculosis Conserved protein 0.0043 0.0251 0.0931
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2692 1
Echinococcus multilocularis xaa Pro dipeptidase 0.0034 0.0149 0.0149
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0251 0.0931
Onchocerca volvulus 0.0049 0.0303 0.0932
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0116 0.0449
Loa Loa (eye worm) hypothetical protein 0.0238 0.2277 0.8832
Onchocerca volvulus 0.0242 0.2322 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0251 0.0972
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0251 0.075
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0034 0.0149 0.0578
Leishmania major transcription factor-like protein 0.0034 0.0149 0.0578
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0096 0.0372
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0267 0.2578 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0251 0.0972
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0251 0.0972
Brugia malayi beta-lactamase family protein 0.0043 0.0251 0.0972
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0116 0.0347
Schistosoma mansoni survival motor neuron protein 0.0049 0.0303 0.1177
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0128 0.0495
Echinococcus granulosus tar DNA binding protein 0.0064 0.0466 0.1395
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0267 0.1036
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0096 0.0372
Leishmania major hypothetical protein, conserved 0.0043 0.0251 0.0972
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0251 0.0931
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0251 0.0931
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0183 0.0788
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0034 0.0149 0.0446
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Plasmodium vivax methionine aminopeptidase 1c, putative 0.0034 0.0149 0.0502
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0316 0.1226
Chlamydia trachomatis methionine aminopeptidase 0.0267 0.2578 1
Trypanosoma brucei methionine aminopeptidase, putative 0.0267 0.2578 1
Plasmodium falciparum methionine aminopeptidase 2 0.0034 0.0149 0.0502
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0183 0.071
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0267 0.2578 1
Mycobacterium tuberculosis Dipeptidase PepE 0.0034 0.0149 0.0553
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0373 0.1447
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0267 0.2578 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0149 0.0578
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0183 0.0788
Schistosoma mansoni alpha-glucosidase 0.0143 0.1292 0.5012
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0034 0.0149 0.0578
Loa Loa (eye worm) methionine aminopeptidase type I 0.0267 0.2578 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0008 0.0031
Onchocerca volvulus 0.0034 0.0149 0.0238
Loa Loa (eye worm) hypothetical protein 0.0021 0.0021 0.008
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0183 0.0183
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0096 0.0372
Echinococcus granulosus xaa pro aminopeptidase 0.0034 0.0149 0.0446
Loa Loa (eye worm) hypothetical protein 0.0021 0.0021 0.008
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0251 0.0931
Mycobacterium ulcerans aminopeptidase 0.0034 0.0149 0.0578
Loa Loa (eye worm) hypothetical protein 0.0029 0.0096 0.0372
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0251 0.09
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0267 0.2578 1
Echinococcus granulosus xaa Pro dipeptidase 0.0034 0.0149 0.0446
Echinococcus granulosus methionine aminopeptidase type I 0.0034 0.0149 0.0446
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0251 0.1079
Entamoeba histolytica aminopeptidase, putative 0.0034 0.0149 0.8139
Echinococcus granulosus tumor protein p63 0.034 0.334 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0096 0.0372
Loa Loa (eye worm) DNA-binding protein 0.0034 0.0149 0.0578
Brugia malayi Methionine aminopeptidase protein type I 0.0267 0.2578 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0251 0.0623
Loa Loa (eye worm) beta-lactamase 0.0043 0.0251 0.0972
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0251 0.0972
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0267 0.2578 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0116 0.0116
Plasmodium vivax peptidase, putative 0.0034 0.0149 0.0502
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0034 0.0149 0.0134
Schistosoma mansoni peptidase 0.0034 0.0149 0.0578
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0096 0.0372
Loa Loa (eye worm) hypothetical protein 0.0043 0.0251 0.0972
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Loa Loa (eye worm) hypothetical protein 0.0029 0.0096 0.0372
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0466 0.1808
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0373 0.0373
Loa Loa (eye worm) hypothetical protein 0.0043 0.0251 0.0972
Loa Loa (eye worm) initiation factor 2-associated protein 0.0034 0.0149 0.0578
Echinococcus multilocularis xaa pro aminopeptidase 0.0034 0.0149 0.0149
Entamoeba histolytica peptidase, putative 0.0034 0.0149 0.8139
Mycobacterium ulcerans methionine aminopeptidase 0.0267 0.2578 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0021 0.008
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0034 0.0149 0.0578
Plasmodium vivax methionine aminopeptidase 2, putative 0.0034 0.0149 0.0502
Trichomonas vaginalis set domain proteins, putative 0.0242 0.2322 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0.0149 0.0641
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0251 0.0972

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.92 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) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.8078 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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