Detailed information for compound 1255554

Basic information

Technical information
  • TDR Targets ID: 1255554
  • Name: 3-(3-methylbutyl)-4-oxo-N-(4,5,6,7-tetrahydro -1,3-benzothiazol-2-yl)phthalazine-1-carboxam ide
  • MW: 396.506 | Formula: C21H24N4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCn1nc(C(=O)Nc2nc3c(s2)CCCC3)c2c(c1=O)cccc2)C
  • InChi: 1S/C21H24N4O2S/c1-13(2)11-12-25-20(27)15-8-4-3-7-14(15)18(24-25)19(26)23-21-22-16-9-5-6-10-17(16)28-21/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,22,23,26)
  • InChiKey: BCCWIXSKVZNOPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-isopentyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide
  • 3-isopentyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phthalazinecarboxamide
  • 3-isoamyl-4-keto-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide
  • MLS000334717
  • SMR000249475
  • ZINC03325763
  • T5306568

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3316 0.3304
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2918 1 1
Brugia malayi RNA, U transporter 1 0.0099 0.0281 0.0281
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0093 0.0758
Schistosoma mansoni chromobox protein 0.0074 0.0194 0.0176
Schistosoma mansoni hypothetical protein 0.0058 0.0141 0.0123
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.009 0.0814
Brugia malayi beta-lactamase 0.0043 0.009 0.009
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.1865 0.185
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.0725
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0082 0.0649
Trypanosoma cruzi hypothetical protein, conserved 0.0225 0.0715 0.0698
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2813 0.28
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.0698 0.0698
Loa Loa (eye worm) hypothetical protein 0.0286 0.0924 0.0924
Trypanosoma cruzi hypothetical protein, conserved 0.0225 0.0715 0.0698
Onchocerca volvulus Huntingtin homolog 0.0148 0.045 0.5304
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.009 0.009
Echinococcus multilocularis snurportin 1 0.0372 0.1222 0.1206
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.009 0.0814
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.1865 0.185
Loa Loa (eye worm) hypothetical protein 0.0041 0.0082 0.0082
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0049 0.0031
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0029 0.0011
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0037 0.0193
Loa Loa (eye worm) hypothetical protein 0.012 0.0355 0.0355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.013 0.0112
Schistosoma mansoni ran 0.0026 0.0028 0.001
Schistosoma mansoni hypothetical protein 0.0205 0.0645 0.0628
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0026 0.0029 0.0248
Schistosoma mansoni intermediate filament proteins 0.0033 0.0052 0.0034
Echinococcus multilocularis lamin 0.0033 0.0052 0.0034
Schistosoma mansoni hypothetical protein 0.0038 0.0071 0.0053
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.1085 0.3681 0.3669
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.009 0.0726
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.0355 0.0355
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0071 0.0053
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0029 0.0011
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.009 0.0072
Mycobacterium tuberculosis Conserved protein 0.0043 0.009 0.0814
Schistosoma mansoni hypothetical protein 0.0038 0.0071 0.0053
Loa Loa (eye worm) hypothetical protein 0.0032 0.005 0.005
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2918 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0224 0.0224
Echinococcus granulosus snurportin 1 0.0372 0.1222 0.1206
Echinococcus granulosus GPCR family 2 0.0038 0.0071 0.0053
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0071 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0082 0.0649
Onchocerca volvulus 0.025 0.0803 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0193 0.0175
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.009 0.0814
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.0355 0.0355
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.013 0.013
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0052 0.0052
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.0355 0.0355
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0052 0.0052
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.009 0.0072
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.009 0.0072
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0028 0.001
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0052 0.0052
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.006 0.0042
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0018 0.0018
Mycobacterium tuberculosis Conserved protein 0.0026 0.0029 0.0124
Brugia malayi hypothetical protein 0.0148 0.045 0.045
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0044 0.009 0.0072
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0151 0.046 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0082 0.0409
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0071 0.0053
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0071 0.0053
Plasmodium falciparum importin beta, putative 0.0035 0.006 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.0194 0.0194
Echinococcus multilocularis citrate lyase subunit beta protein 0.0026 0.0029 0.0011
Onchocerca volvulus 0.0044 0.009 0.0516
Onchocerca volvulus 0.0058 0.0141 0.1188
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0151 0.046 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0049 0.0031
Schistosoma mansoni survival motor neuron protein 0.0058 0.0141 0.0123
Mycobacterium ulcerans hypothetical protein 0.0043 0.009 0.1621
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.013 0.0112
Echinococcus granulosus neuropeptide s receptor 0.0558 0.1865 0.185
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.009 0.0814
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.045 0.045
Schistosoma mansoni lamin 0.0033 0.0052 0.0034
Trichomonas vaginalis set domain proteins, putative 0.025 0.0803 0.7954
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.009 0.0072
Loa Loa (eye worm) hypothetical protein 0.0035 0.006 0.006
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.006 0.0042
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0028 0.0028
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0028 0.001
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0028 0.001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0049 0.0031
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0018 0.0018
Echinococcus multilocularis GPCR, family 2 0.0038 0.0071 0.0053
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0194 0.1779
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0151 0.046 0.5024
Echinococcus multilocularis lamin dm0 0.0033 0.0052 0.0034
Toxoplasma gondii fructose-bisphospatase I 0.1085 0.3681 0.3669
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0193 0.0175
Schistosoma mansoni chromobox protein 0.0074 0.0194 0.0176
Mycobacterium ulcerans beta-lactamase 0.0043 0.009 0.1621
Brugia malayi beta-lactamase family protein 0.0043 0.009 0.009
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.009 0.1621
Plasmodium vivax hypothetical protein, conserved 0.0043 0.009 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0029 0.0248
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.009 0.0814
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.0725
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0049 0.0031
Treponema pallidum fructose-bisphosphate aldolase 0.0309 0.1005 1
Brugia malayi hypothetical protein 0.0286 0.0924 0.0924
Echinococcus multilocularis chromobox protein 1 0.0074 0.0194 0.0176
Leishmania major 0.2918 1 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0028 0.2408
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2918 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0193 0.0175
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0028 0.1404
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0045 0.0026
Schistosoma mansoni importin beta-1 0.0035 0.006 0.0042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0193 0.395
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0028 0.0028
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0071 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0041 0.0227
Leishmania major GTP-binding protein, putative 0.0026 0.0028 0.001
Echinococcus multilocularis importin subunit beta 1 0.0035 0.006 0.0042
Schistosoma mansoni hypothetical protein 0.0038 0.0071 0.0053
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0037 0.0019
Onchocerca volvulus 0.0033 0.0052 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0041 0.0227
Schistosoma mansoni hypothetical protein 0.0043 0.009 0.0072
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0028 0.001
Onchocerca volvulus 0.0033 0.0052 0.001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.009 0.0072
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.009 0.0072
Echinococcus granulosus chromobox protein 1 0.0074 0.0194 0.0176
Plasmodium vivax importin-beta 2, putative 0.0035 0.006 0.5831
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0193 0.395
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1222 0.1222
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0193 0.395
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.013 0.0112
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.0725
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0018 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0193 0.0175
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0028 0.001
Toxoplasma gondii fructose-bisphospatase II 0.2918 1 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0052 0.0034
Schistosoma mansoni hypothetical protein 0.0372 0.1222 0.1206
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.1085 0.3681 0.3669
Brugia malayi hypothetical protein 0.0043 0.009 0.009
Giardia lamblia Fructose-bisphosphate aldolase 0.0309 0.1005 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.009 0.0726
Echinococcus granulosus citrate lyase subunit beta protein 0.0026 0.0029 0.0011
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0029 0.0011
Mycobacterium ulcerans hypothetical protein 0.0026 0.0029 0.0248
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0193 0.1984
Brugia malayi chromobox protein homolog 3 0.0041 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Brugia malayi Pre-SET motif family protein 0.022 0.0698 0.0698
Onchocerca volvulus 0.0043 0.009 0.0511
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 0.1005 1
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.1865 0.185
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.009 0.1621
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.009 0.0072
Echinococcus granulosus importin subunit beta 1 0.0035 0.006 0.0042
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2918 1 1
Echinococcus granulosus geminin 0.0205 0.0645 0.0628
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2918 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.013 0.0112
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0029 0.0248
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Brugia malayi Pre-SET motif family protein 0.0032 0.0049 0.0049
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0026 0.0029 0.0111
Echinococcus multilocularis geminin 0.0205 0.0645 0.0628
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.013 0.0112
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2813 0.28
Mycobacterium tuberculosis Conserved protein 0.0043 0.009 0.0814
Trypanosoma brucei hypothetical protein, conserved 0.0225 0.0715 0.0698
Echinococcus granulosus lamin 0.0033 0.0052 0.0034
Brugia malayi beta-lactamase family protein 0.0043 0.009 0.009
Echinococcus granulosus lamin dm0 0.0033 0.0052 0.0034
Toxoplasma gondii ABC1 family protein 0.0043 0.009 0.0072
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2918 1 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0028 0.0102
Onchocerca volvulus Huntingtin homolog 0.0148 0.045 0.5304
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0049 0.0049
Onchocerca volvulus 0.0043 0.009 0.0511
Echinococcus multilocularis musashi 0.0033 0.0052 0.0034
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0049 0.0031
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0898 1
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.1085 0.3681 0.3669
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2813 0.28
Leishmania major hypothetical protein, conserved 0.0043 0.009 0.0072
Trichomonas vaginalis esterase, putative 0.0043 0.009 0.0726
Loa Loa (eye worm) hypothetical protein 0.0038 0.0071 0.0071
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0049 0.0031
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0028 0.001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0049 0.0031
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.009 0.0726
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0924 0.0908
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.013 0.013
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.009 0.0814
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0071 0.0071
Echinococcus multilocularis chromobox protein 1 0.0074 0.0194 0.0176
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.009 0.0072
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.009 0.0726
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.009 0.0072
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0037 0.0193
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2918 1 1
Leishmania major importin beta-1 subunit, putative 0.0028 0.0037 0.0019
Loa Loa (eye worm) hypothetical protein 0.0033 0.0052 0.0052
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 0.1005 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.009 0.009
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.0725
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.009 0.0726
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0224 0.0224
Mycobacterium tuberculosis Conserved protein 0.0043 0.009 0.0814
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0924 0.0908
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Trichomonas vaginalis ran, putative 0.0026 0.0028 0.0102
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.009 0.009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.013 0.0112
Brugia malayi Heterochromatin protein 1 0.0074 0.0194 0.0194
Brugia malayi intermediate filament protein 0.0033 0.0052 0.0052
Schistosoma mansoni hypothetical protein 0.0082 0.0224 0.0206
Schistosoma mansoni hypothetical protein 0.0205 0.0645 0.0628
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.013 0.0112
Loa Loa (eye worm) hypothetical protein 0.0032 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0148 0.045 0.045
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0093 0.0758
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0026 0.0029 0.0124
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0037 0.0193
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0071 0.0053
Leishmania major hypothetical protein, conserved 0.0225 0.0715 0.0698
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0029 0.0248
Entamoeba histolytica hypothetical protein 0.0028 0.0037 0.0193
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.006 0.0042
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0141 0.0141
Entamoeba histolytica Ran family GTPase 0.0026 0.0028 0.0102
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0093 0.0553
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0193 0.0175
Mycobacterium ulcerans lipase LipD 0.0043 0.009 0.1621
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0193 0.0175
Plasmodium vivax SET domain protein, putative 0.0032 0.0049 0.4253
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.1085 0.3681 0.3669
Schistosoma mansoni hypothetical protein 0.0038 0.0071 0.0053
Schistosoma mansoni ran 0.0026 0.0028 0.001
Schistosoma mansoni lamin 0.0033 0.0052 0.0034
Echinococcus granulosus chromobox protein 1 0.0074 0.0194 0.0176
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.009 0.0072
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0194 0.1779
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.009 0.0814
Brugia malayi Importin beta-1 subunit 0.0035 0.006 0.006
Onchocerca volvulus 0.0043 0.009 0.0511

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.0596 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) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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) 6.5131 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10.4179 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 12.9953 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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