Detailed information for compound 1459145

Basic information

Technical information
  • TDR Targets ID: 1459145
  • Name: MLS000833768
  • MW: 336.519 | Formula: C16H24N4S2
  • H donors: 4 H acceptors: 0 LogP: 2.94 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(NC1CC2CC1CC2)NNC(=S)NC1CC2CC1C=C2
  • InChi: 1S/C16H24N4S2/c21-15(17-13-7-9-1-3-11(13)5-9)19-20-16(22)18-14-8-10-2-4-12(14)6-10/h1,3,9-14H,2,4-8H2,(H2,17,19,21)(H2,18,20,22)
  • InChiKey: NMEJFMNHQTZJIT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N1-bicyclo[2.2.1]hept-5-en-2-yl-N2-bicyclo[2.2.1]hept-2-ylhydrazine-1,2-dicarbothioamide
  • SMR000457489

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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 Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1535 0.1535
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.4969 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0634 0.0634
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0985 0.3422
Onchocerca volvulus 0.0182 0.4969 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0634 0.0634
Echinococcus multilocularis geminin 0.0205 0.5697 0.5665
Schistosoma mansoni hypothetical protein 0.0035 0.0326 0.0326
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1737 0.1737
Brugia malayi jmjC domain containing protein 0.0045 0.0634 0.0478
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2114 0.2114
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0586 0.0516
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1737 0.16
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.034 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0843 0.0843
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0326 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.077 0.077
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0634 0.0565
Loa Loa (eye worm) protein-tyrosine phosphatase 0.034 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.5697 0.5697
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0182 0.4969 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.1633 0.1633
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1515 0.1515
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.5447 0.5371
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.5447 0.5447
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1535 1
Brugia malayi Bromodomain containing protein 0.0091 0.2081 0.1949
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0763 0.0695
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0763 0.0695
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.034 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0961 0.0895
Brugia malayi Bromodomain containing protein 0.0046 0.0676 0.0521
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1535 0.1472
Leishmania major hypothetical protein, conserved 0.0056 0.0985 0.3422
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0634 0.0634
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1737 0.1676
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0326 0.0326
Schistosoma mansoni alpha-glucosidase 0.0169 0.4579 0.4579
Brugia malayi PHD-finger family protein 0.0035 0.0326 0.0165
Schistosoma mansoni alpha glucosidase 0.0044 0.0594 0.0594
Schistosoma mansoni hypothetical protein 0.0205 0.5697 0.5697
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1737 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0326 0.0255
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0182 0.4969 0.4885
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.4969 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0326 0.0255
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.4969 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1737 0.1737
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0961 0.0895
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.4969 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0182 0.4969 1
Plasmodium falciparum phd finger protein, putative 0.0035 0.0326 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0985 0.0894
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1535 0.8228
Loa Loa (eye worm) hypothetical protein 0.006 0.1124 0.1124
Onchocerca volvulus 0.0114 0.2818 0.5366
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.034 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0182 0.4969 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0985 0.0894
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0561 0.0491
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.5447 0.5414
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0985 0.3422
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0961 0.0961
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1535 0.1535
Loa Loa (eye worm) hypothetical protein 0.0085 0.1918 0.1918
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0961 0.0961
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0182 0.4969 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.4579 0.4579
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1737 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0961 0.0895
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0961 0.0961
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0673 0.0604
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0182 0.4969 1
Echinococcus granulosus geminin 0.0205 0.5697 0.5665
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0594 0.0525
Echinococcus granulosus peregrin 0.0038 0.0417 0.0346
Loa Loa (eye worm) hypothetical protein 0.0046 0.0679 0.0679
Brugia malayi jmjC domain containing protein 0.0115 0.2866 0.2747
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0126 0.3194 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0594 0.0525
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0961 0.0895
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0073 0.0073
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0182 0.4969 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1737 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1737 1
Brugia malayi Bromodomain containing protein 0.0038 0.0417 0.0257
Echinococcus multilocularis peregrin 0.0038 0.0417 0.0346
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.0035 0.0326 0.0326
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0985 0.3422
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0961 0.0811
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1496 0.1433
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1737 0.1676
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0673 0.0604
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2866 0.2813
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5447 0.5414
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0594 0.0594
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5447 0.5414
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0182 0.4969 0.4969
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1496 0.1433
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0594 0.2217
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0586 0.0516
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1535 0.1472
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0594 0.0438
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2866 0.2813
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1737 0.2613
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0326 0.0326

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1158 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) 0.7943 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.9811 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) = 9.9237 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 18.526 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) = 19.9526 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) 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) 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 of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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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