Detailed information for compound 1431983

Basic information

Technical information
  • TDR Targets ID: 1431983
  • Name: 2-[3-[5-chloro-4-[(2-chloro-4-fluorophenyl)me thylamino]-6-oxopyridazin-1-yl]-1-adamantyl]a cetic acid
  • MW: 480.359 | Formula: C23H24Cl2FN3O3
  • H donors: 2 H acceptors: 3 LogP: 4.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)NCc1ccc(cc1Cl)F
  • InChi: 1S/C23H24Cl2FN3O3/c24-17-4-16(26)2-1-15(17)10-27-18-11-28-29(21(32)20(18)25)23-7-13-3-14(8-23)6-22(5-13,12-23)9-19(30)31/h1-2,4,11,13-14,27H,3,5-10,12H2,(H,30,31)
  • InChiKey: NINIJFNJRWWWII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-[5-chloro-4-[(2-chloro-4-fluoro-phenyl)methylamino]-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid
  • 2-[3-[5-chloro-4-[(2-chloro-4-fluorophenyl)methylamino]-6-oxo-1-pyridazinyl]-1-adamantyl]acetic acid
  • 2-[3-[5-chloro-4-[(2-chloro-4-fluoro-benzyl)amino]-6-keto-pyridazin-1-yl]-1-adamantyl]acetic acid
  • 2-[3-[5-chloro-4-[(2-chloro-4-fluoro-phenyl)methylamino]-6-oxo-pyridazin-1-yl]-1-adamantyl]ethanoic acid
  • MLS000673096
  • SMR000314337
  • {3-[5-chloro-4-[(2-chloro-4-fluorobenzyl)amino]-6-oxopyridazin-1(6H)-yl]-1-adamantyl}acetic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens insulin-degrading enzyme Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi insulin-degrading enzyme Get druggable targets OG5_126910 All targets in OG5_126910
Leishmania braziliensis phosphoglycan beta 1,3 galactosyltransferase 5 Get druggable targets OG5_126910 All targets in OG5_126910
Cryptosporidium hominis involved in a-factor processing; Ste23p Get druggable targets OG5_126910 All targets in OG5_126910
Leishmania infantum phosphoglycan beta 1,3 galactosyltransferase 5 Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus granulosus 3'partial|nardilysin Get druggable targets OG5_126910 All targets in OG5_126910
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01408 insulysin [EC3.4.24.56], putative Get druggable targets OG5_126910 All targets in OG5_126910
Leishmania braziliensis phosphoglycan beta 1,3 galactosyltransferase 5 Get druggable targets OG5_126910 All targets in OG5_126910
Trypanosoma congolense peptidase, putative Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus multilocularis nardilysin Get druggable targets OG5_126910 All targets in OG5_126910
Neospora caninum M16 family peptidase, putative Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis insulin degrading enzyme Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni insulysin unit 3 (M16 family) Get druggable targets OG5_126910 All targets in OG5_126910
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii rhoptry metalloprotease toxolysin TLN1 Get druggable targets OG5_126910 All targets in OG5_126910
Schistosoma mansoni insulysin unit 3 (M16 family) Get druggable targets OG5_126910 All targets in OG5_126910
Leishmania mexicana peptidase, putative,metallo-peptidase, Clan ME, Family M16 Get druggable targets OG5_126910 All targets in OG5_126910
Toxoplasma gondii peptidase M16 inactive domain-containing protein Get druggable targets OG5_126910 All targets in OG5_126910
Chlamydia trachomatis insulinase family protease III Get druggable targets OG5_126910 All targets in OG5_126910
Cryptosporidium parvum peptidaseinsulinase-like peptidase Get druggable targets OG5_126910 All targets in OG5_126910
Candida albicans likely protease similar to S. cerevisiae STE23 (YLR389C) involved in a-factor maturation Get druggable targets OG5_126910 All targets in OG5_126910
Candida albicans likely protease similar to S. cerevisiae STE23 (YLR389C) involved in a-factor maturation Get druggable targets OG5_126910 All targets in OG5_126910
Trypanosoma congolense peptidase, putative Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei peptidase, putative Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus multilocularis nardilysin Get druggable targets OG5_126910 All targets in OG5_126910
Leishmania donovani phosphoglycan beta 1,3 galactosyltransferase 5 Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus multilocularis nardilysin Get druggable targets OG5_126910 All targets in OG5_126910
Trypanosoma cruzi peptidase, putative Get druggable targets OG5_126910 All targets in OG5_126910
Toxoplasma gondii sporozoite developmental protein Get druggable targets OG5_126910 All targets in OG5_126910
Trypanosoma cruzi peptidase, putative Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni nardilysin (M16 family) Get druggable targets OG5_126910 All targets in OG5_126910
Leishmania major phosphoglycan beta 1,3 galactosyltransferase 5 Get druggable targets OG5_126910 All targets in OG5_126910
Toxoplasma gondii insulysin, putative Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus granulosus nardilysin Get druggable targets OG5_126910 All targets in OG5_126910
Cryptosporidium hominis ENSANGP00000016000 Get druggable targets OG5_126910 All targets in OG5_126910
Schistosoma mansoni nardilysin (M16 family) Get druggable targets OG5_126910 All targets in OG5_126910
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense peptidase, putative,metallo-peptidase, Clan ME, Family M16, putative Get druggable targets OG5_126910 All targets in OG5_126910
Loa Loa (eye worm) insulin-degrading enzyme Get druggable targets OG5_126910 All targets in OG5_126910
Cryptosporidium parvum peptidaseinsulinase-like peptidase Get druggable targets OG5_126910 All targets in OG5_126910
Schistosoma japonicum ko:K01411 nardilysin [EC3.4.24.61], putative Get druggable targets OG5_126910 All targets in OG5_126910
Echinococcus granulosus insulin degrading enzyme Get druggable targets OG5_126910 All targets in OG5_126910
Schistosoma mansoni insulysin (M16 family) Get druggable targets OG5_126910 All targets in OG5_126910
Schistosoma japonicum ko:K01408 insulysin [EC3.4.24.56], putative Get druggable targets OG5_126910 All targets in OG5_126910
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Peptidase M16 domain protein, related Get druggable targets OG5_126910 All targets in OG5_126910
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0224 0.8484
Onchocerca volvulus 0.0039 0.0224 0.0205
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0438 0.0752
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0347 0.1431
Brugia malayi nuclear receptor NHR-88 0.0011 0.002 0.0028
Loa Loa (eye worm) hypothetical protein 0.0024 0.0118 0.043
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0224 0.0683
Toxoplasma gondii peptidase M16 inactive domain-containing protein 0.0018 0.0071 0.0167
Schistosoma mansoni inositol monophosphatase 0.0041 0.0244 0.0403
Trypanosoma brucei unspecified product 0.0023 0.0113 0.0307
Loa Loa (eye worm) beta-lactamase 0.0039 0.0224 0.0895
Brugia malayi RNA, U transporter 1 0.0086 0.0571 0.0787
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0438 0.1832
Leishmania major telomerase reverse transcriptase, putative 0.0376 0.269 1
Echinococcus multilocularis importin subunit beta 1 0.003 0.0164 0.0258
Leishmania major phosphoglycan beta 1,3 galactosyltransferase 5 0.0029 0.0154 0.0462
Toxoplasma gondii rhoptry metalloprotease toxolysin TLN1 0.0029 0.0154 0.0481
Echinococcus granulosus geminin 0.0205 0.1439 0.2554
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0323 0.2302 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0224 0.0683
Schistosoma mansoni survival motor neuron protein 0.0054 0.0336 0.0569
Echinococcus granulosus insulin degrading enzyme 0.0029 0.0154 0.0241
Schistosoma mansoni hypothetical protein 0.0017 0.0069 0.0089
Schistosoma mansoni insulysin (M16 family) 0.0016 0.006 0.0072
Giardia lamblia Telomerase catalytic subunit 0.0376 0.269 1
Mycobacterium tuberculosis Conserved protein 0.0039 0.0224 0.0683
Toxoplasma gondii ABC1 family protein 0.0039 0.0224 0.0743
Echinococcus multilocularis geminin 0.0205 0.1439 0.2554
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.002 0.0028
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0224 0.0725
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0438 0.0752
Echinococcus granulosus 3'partial|nardilysin 0.0029 0.0154 0.0241
Loa Loa (eye worm) MH2 domain-containing protein 0.0057 0.0363 0.1502
Mycobacterium leprae Probable lipase LipE 0.0039 0.0224 1
Plasmodium vivax importin-beta 2, putative 0.003 0.0164 0.0498
Loa Loa (eye worm) hypothetical protein 0.0039 0.0224 0.0895
Echinococcus granulosus importin subunit beta 1 0.003 0.0164 0.0258
Schistosoma mansoni hypothetical protein 0.0323 0.2302 0.4108
Brugia malayi beta-lactamase 0.0039 0.0224 0.0309
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0244 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0244 0.08
Brugia malayi Importin beta-1 subunit 0.003 0.0164 0.0226
Toxoplasma gondii LsmAD domain-containing protein 0.0012 0.0031 0.0019
Schistosoma mansoni transcription factor LCR-F1 0.0017 0.0069 0.0089
Echinococcus granulosus 5'partial|nardilysin 0.0013 0.0037 0.003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.002 0.0028
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0244 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0224 0.0895
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0113 0.0167
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0113 0.0307
Brugia malayi steroid hormone receptor 0.0011 0.002 0.0028
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0122 0.034
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0224 1
Plasmodium falciparum telomerase reverse transcriptase 0.0376 0.269 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0017 0.0069 0.0089
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0224 0.0683
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.1742 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0113 0.0167
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0029 0.0154 0.0241
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0113 0.0407
Echinococcus granulosus dna polymerase kappa 0.0023 0.0113 0.0167
Brugia malayi MH2 domain containing protein 0.0057 0.0363 0.05
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0224 0.0309
Leishmania major importin beta-1 subunit, putative 0.0025 0.0122 0.034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0347 0.0588
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0376 0.269 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.002 0.0028
Loa Loa (eye worm) hypothetical protein 0.0039 0.0224 0.0895
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0244 0.0403
Echinococcus granulosus muscleblind protein 0.0153 0.1063 0.1877
Trypanosoma cruzi peptidase, putative 0.0029 0.0154 0.0462
Schistosoma mansoni DNA polymerase eta 0.0023 0.0113 0.0167
Brugia malayi hypothetical protein 0.0017 0.0069 0.0096
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0224 0.8484
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0244 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0244 0.08
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.002 0.0028
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0438 0.0752
Loa Loa (eye worm) transcription factor SMAD2 0.0057 0.0363 0.1502
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0122 0.0671
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0113 0.0156
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0113 0.0156
Echinococcus multilocularis nardilysin 0.0029 0.0154 0.0241
Loa Loa (eye worm) hypothetical protein 0.0039 0.0224 0.0895
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0244 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.002 0.0028
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0224 0.0367
Brugia malayi Inositol-1 0.0041 0.0244 0.0337
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Loa Loa (eye worm) hypothetical protein 0.0264 0.1872 0.8118
Plasmodium falciparum importin beta, putative 0.003 0.0164 0.0498
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0438 0.0752
Brugia malayi hypothetical protein 0.0012 0.0031 0.0043
Toxoplasma gondii sporozoite developmental protein 0.0029 0.0154 0.0481
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0347 0.0588
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.002 0.0028
Toxoplasma gondii toxolysin TLN4 0.0013 0.0037 0.0039
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0376 0.269 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.002 0.0028
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0024 0.0118 0.0163
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0113 0.0167
Trichomonas vaginalis esterase, putative 0.0039 0.0224 0.8484
Schistosoma mansoni microtubule-associated protein tau 0.077 0.5574 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0224 0.8484
Plasmodium vivax telomerase reverse transcriptase, putative 0.0376 0.269 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0164 0.0498
Schistosoma mansoni nardilysin (M16 family) 0.0029 0.0154 0.0241
Loa Loa (eye worm) hypothetical protein 0.003 0.0164 0.0629
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0347 0.0588
Echinococcus multilocularis nardilysin 0.0029 0.0154 0.0241
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.002 0.0028
Trypanosoma brucei telomerase reverse transcriptase 0.0376 0.269 1
Brugia malayi nuclear hormone receptor 0.0011 0.002 0.0028
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0224 0.0725
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0336 0.0464
Brugia malayi insulin-degrading enzyme 0.0029 0.0154 0.0213
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.002 0.0028
Schistosoma mansoni hypothetical protein 0.0205 0.1439 0.2554
Onchocerca volvulus 0.0145 0.1006 0.0988
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.002 0.0028
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0407
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0113 0.0167
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0347 0.0478
Mycobacterium tuberculosis Conserved protein 0.0039 0.0224 0.0683
Echinococcus granulosus tar DNA binding protein 0.0068 0.0438 0.0752
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.006 0.0108
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0164 0.0498
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0224 0.0725
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0347 0.0588
Loa Loa (eye worm) hypothetical protein 0.0145 0.1006 0.4322
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0224 0.0367
Echinococcus granulosus snurportin 1 0.0323 0.2302 0.4108
Brugia malayi Muscleblind-like protein 0.0153 0.1063 0.1465
Schistosoma mansoni inositol monophosphatase 0.0041 0.0244 0.0403
Loa Loa (eye worm) hypothetical protein 0.0039 0.0224 0.0895
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0244 0.0818
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.002 0.0028
Toxoplasma gondii insulysin, putative 0.0028 0.0144 0.0442
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0224 0.0367
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0113 0.2504
Brugia malayi Calcitonin receptor-like protein seb-1 0.0024 0.0118 0.0163
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0113 0.0307
Entamoeba histolytica hypothetical protein 0.0025 0.0122 0.3007
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.006 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.006 0.0108
Loa Loa (eye worm) hypothetical protein 0.0016 0.0063 0.0186
Onchocerca volvulus 0.0039 0.0224 0.0205
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0347 0.0588
Brugia malayi hypothetical protein 0.0264 0.1872 0.2582
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0438 0.1832
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0347 0.0588
Echinococcus multilocularis dna polymerase eta 0.0023 0.0113 0.0167
Brugia malayi TAR-binding protein 0.0068 0.0438 0.0604
Mycobacterium ulcerans beta-lactamase 0.0039 0.0224 0.8484
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Onchocerca volvulus 0.0054 0.0336 0.0317
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0113 0.0307
Echinococcus multilocularis nardilysin 0.0018 0.0071 0.0091
Mycobacterium tuberculosis Conserved protein 0.0039 0.0224 0.0683
Loa Loa (eye worm) inositol-1 0.0041 0.0244 0.0982
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0224 0.8484
Echinococcus granulosus nardilysin 0.0029 0.0154 0.0241
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0224 0.8484
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0438 0.0752
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0244 0.08
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0224 0.8484
Brugia malayi hypothetical protein 0.0145 0.1006 0.1388
Schistosoma mansoni family M16 unassigned peptidase (M16 family) 0.0011 0.0026 0.0011
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0224 0.8484
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0244 0.08
Brugia malayi ecdysteroid receptor 0.0011 0.002 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.002 0.0028
Brugia malayi beta-lactamase family protein 0.0039 0.0224 0.0309
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0224 0.0683
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.002 0.0028
Schistosoma mansoni hypothetical protein 0.0016 0.0063 0.0076
Brugia malayi latrophilin 2 splice variant baaae 0.0016 0.0063 0.0086
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Loa Loa (eye worm) hypothetical protein 0.0153 0.1063 0.457
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0113 0.0307
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0224 0.0683
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0244 0.0403
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.002 0.0028
Echinococcus multilocularis muscleblind protein 1 0.0153 0.1063 0.1877
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0029 0.0154 0.0241
Echinococcus multilocularis muscleblind protein 0.0153 0.1063 0.1877
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0024 0.0118 0.043
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0438 0.0752
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0113 0.0167
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0122 0.0671
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0244 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0224 0.0895
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0347 0.0588
Trypanosoma brucei unspecified product 0.0016 0.006 0.0108
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0224 0.0367
Loa Loa (eye worm) insulin-degrading enzyme 0.0029 0.0154 0.0588
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0224 0.0683
Echinococcus multilocularis insulin degrading enzyme 0.0029 0.0154 0.0241
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0113 0.0307
Schistosoma mansoni nardilysin (M16 family) 0.0029 0.0154 0.0241
Leishmania major hypothetical protein, conserved 0.0039 0.0224 0.0725
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.1872 0.3335
Mycobacterium ulcerans hypothetical protein 0.0039 0.0224 0.8484
Brugia malayi RNA binding protein 0.0068 0.0438 0.0604
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0113 0.0307
Schistosoma mansoni hypothetical protein 0.0054 0.0336 0.0569
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0224 0.0683
Mycobacterium ulcerans lipase LipD 0.0039 0.0224 0.8484
Loa Loa (eye worm) hypothetical protein 0.0153 0.1063 0.457
Trypanosoma brucei peptidase, putative 0.0029 0.0154 0.0462
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0438 0.0604
Loa Loa (eye worm) RNA binding protein 0.0068 0.0438 0.1832
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0213 0.0611
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0224 0.0725
Leishmania major DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.1872 0.3335
Loa Loa (eye worm) hypothetical protein 0.0039 0.0224 0.0895
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.002 0.0028
Trypanosoma cruzi peptidase, putative 0.0029 0.0154 0.0462
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0122 0.0671
Echinococcus granulosus microtubule associated protein 2 0.077 0.5574 1
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0164 0.0516
Schistosoma mansoni importin beta-1 0.003 0.0164 0.0258
Toxoplasma gondii RNA-directed DNA polymerase 0.0376 0.269 1
Trypanosoma brucei unspecified product 0.0016 0.006 0.0108
Loa Loa (eye worm) hypothetical protein 0.0012 0.0031 0.0049
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0244 0.5
Echinococcus granulosus dna polymerase eta 0.0023 0.0113 0.0167
Onchocerca volvulus 0.0039 0.0224 0.0205
Brugia malayi Telomerase reverse transcriptase 0.1 0.7253 1
Chlamydia trachomatis insulinase family protease III 0.0029 0.0154 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.1439 0.2554
Echinococcus multilocularis microtubule associated protein 2 0.077 0.5574 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.002 0.0028
Echinococcus multilocularis snurportin 1 0.0323 0.2302 0.4108
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0113 0.0307
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0017 0.0069 0.0089
Brugia malayi beta-lactamase family protein 0.0039 0.0224 0.0309
Leishmania major DNA polymerase eta, putative 0.0023 0.0113 0.0307

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 18.148 um PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high throughput dose response assay for inhibitors of insulin-degrading enzyme (IDE). (Class of assay: confirmatory) [Related pubchem assays: 434962 (Primary screen (IDE inhibitors in singlicate)), 449730 (Counterscreen (Cytotoxicity in triplicate)), 435028 (Confirmation (IDE inhibitors in triplicate)), 434984 (Summary (IDE inhibitors))] ChEMBL. No reference
IC50 (functional) = 32.13 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminopeptidase (M17LAP). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1042 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) 0.1836 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 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 (binding) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 56.2341 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

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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