Detailed information for compound 1441145

Basic information

Technical information
  • TDR Targets ID: 1441145
  • Name: 3-hexyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzo thiazol-2-yl)phthalazine-1-carboxamide
  • MW: 410.532 | Formula: C22H26N4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCn1nc(C(=O)Nc2nc3c(s2)CCCC3)c2c(c1=O)cccc2
  • InChi: 1S/C22H26N4O2S/c1-2-3-4-9-14-26-21(28)16-11-6-5-10-15(16)19(25-26)20(27)24-22-23-17-12-7-8-13-18(17)29-22/h5-6,10-11H,2-4,7-9,12-14H2,1H3,(H,23,24,27)
  • InChiKey: LCEUCKBEIDOIFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-hexyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phthalazinecarboxamide
  • 3-hexyl-4-keto-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide
  • T0520-8038
  • MLS000374841
  • SMR000254195
  • ZINC03336696

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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 %
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
Schistosoma mansoni ran 0.0026 0.0028 0.001
Brugia malayi hypothetical protein 0.0286 0.0924 0.0924
Mycobacterium ulcerans hypothetical protein 0.0026 0.0029 0.0248
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0049 0.0031
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2918 1 1
Schistosoma mansoni lamin 0.0033 0.0052 0.0034
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.009 0.0072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.009 0.0814
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0193 0.395
Entamoeba histolytica Ran family GTPase 0.0026 0.0028 0.0102
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.1865 0.185
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0194 0.1779
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0151 0.046 0.5024
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.1085 0.3681 0.3669
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Leishmania major 0.2918 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0193 0.0175
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0193 0.0175
Echinococcus multilocularis chromobox protein 1 0.0074 0.0194 0.0176
Echinococcus multilocularis chromobox protein 1 0.0074 0.0194 0.0176
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0093 0.0553
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0082 0.0649
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.009 0.0814
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0193 0.0175
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.006 0.0042
Toxoplasma gondii fructose-bisphospatase I 0.1085 0.3681 0.3669
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.009 0.0726
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.009 0.009
Mycobacterium tuberculosis Conserved protein 0.0043 0.009 0.0814
Onchocerca volvulus 0.0044 0.009 0.0516
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0028 0.001
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0029 0.0248
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2918 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.0355 0.0355
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.009 0.0814
Schistosoma mansoni intermediate filament proteins 0.0033 0.0052 0.0034
Mycobacterium ulcerans lipase LipD 0.0043 0.009 0.1621
Brugia malayi Pre-SET motif family protein 0.022 0.0698 0.0698
Echinococcus granulosus chromobox protein 1 0.0074 0.0194 0.0176
Leishmania major hypothetical protein, conserved 0.0043 0.009 0.0072
Trypanosoma cruzi hypothetical protein, conserved 0.0225 0.0715 0.0698
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0148 0.045 0.045
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2918 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0052 0.0052
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0018 0.0018
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0033 0.0052 0.0052
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.0725
Trypanosoma brucei hypothetical protein, conserved 0.0225 0.0715 0.0698
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Echinococcus multilocularis lamin 0.0033 0.0052 0.0034
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0193 0.395
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0026 0.0029 0.0111
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0028 0.001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.0725
Onchocerca volvulus Huntingtin homolog 0.0148 0.045 0.5304
Schistosoma mansoni hypothetical protein 0.0205 0.0645 0.0628
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.009 0.0072
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0037 0.0019
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0194 0.1779
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0071 0.0071
Echinococcus multilocularis snurportin 1 0.0372 0.1222 0.1206
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.013 0.0112
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0028 0.001
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2918 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.1865 0.185
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.013 0.013
Onchocerca volvulus 0.0033 0.0052 0.001
Echinococcus multilocularis GPCR, family 2 0.0038 0.0071 0.0053
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Schistosoma mansoni hypothetical protein 0.0038 0.0071 0.0053
Echinococcus granulosus neuropeptide s receptor 0.0558 0.1865 0.185
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.0355 0.0355
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0924 0.0908
Trichomonas vaginalis esterase, putative 0.0043 0.009 0.0726
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.0725
Plasmodium vivax SET domain protein, putative 0.0032 0.0049 0.4253
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2918 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.0645 0.0628
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3316 0.3304
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.1085 0.3681 0.3669
Mycobacterium ulcerans hypothetical protein 0.0043 0.009 0.1621
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0193 0.0175
Schistosoma mansoni chromobox protein 0.0074 0.0194 0.0176
Trichomonas vaginalis ran, putative 0.0026 0.0028 0.0102
Entamoeba histolytica hypothetical protein 0.0028 0.0037 0.0193
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.0355 0.0355
Echinococcus granulosus GPCR family 2 0.0038 0.0071 0.0053
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0037 0.0193
Brugia malayi chromobox protein homolog 3 0.0041 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0043 0.009 0.0072
Loa Loa (eye worm) hypothetical protein 0.0148 0.045 0.045
Schistosoma mansoni hypothetical protein 0.0038 0.0071 0.0053
Echinococcus multilocularis importin subunit beta 1 0.0035 0.006 0.0042
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0037 0.0193
Leishmania major importin beta-1 subunit, putative 0.0028 0.0037 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0041 0.0227
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0029 0.0011
Brugia malayi intermediate filament protein 0.0033 0.0052 0.0052
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0193 0.1984
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1222 0.1222
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0029 0.0248
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.009 0.0814
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0049 0.0031
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0026 0.0029 0.0248
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.1865 0.185
Brugia malayi beta-lactamase 0.0043 0.009 0.009
Echinococcus granulosus lamin 0.0033 0.0052 0.0034
Onchocerca volvulus Huntingtin homolog 0.0148 0.045 0.5304
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0093 0.0758
Onchocerca volvulus 0.0033 0.0052 0.001
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0052 0.0052
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2813 0.28
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Schistosoma mansoni hypothetical protein 0.0372 0.1222 0.1206
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0224 0.0224
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0141 0.0141
Schistosoma mansoni lamin 0.0033 0.0052 0.0034
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.1085 0.3681 0.3669
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.009 0.1621
Plasmodium falciparum importin beta, putative 0.0035 0.006 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0049 0.0031
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0071 0.0053
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.009 0.0072
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0093 0.0758
Schistosoma mansoni hypothetical protein 0.0058 0.0141 0.0123
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.009 0.1621
Loa Loa (eye worm) hypothetical protein 0.0032 0.0049 0.0049
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.009 0.0726
Brugia malayi Importin beta-1 subunit 0.0035 0.006 0.006
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0049 0.0031
Onchocerca volvulus 0.0058 0.0141 0.1188
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0082 0.0409
Onchocerca volvulus 0.025 0.0803 1
Leishmania major GTP-binding protein, putative 0.0026 0.0028 0.001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.013 0.0112
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0018 0.0018
Echinococcus granulosus citrate lyase subunit beta protein 0.0026 0.0029 0.0011
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 0.1005 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0082 0.0649
Mycobacterium tuberculosis Conserved protein 0.0043 0.009 0.0814
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0049 0.0031
Loa Loa (eye worm) hypothetical protein 0.0038 0.0071 0.0071
Echinococcus granulosus intermediate filament protein 0.0033 0.0052 0.0034
Loa Loa (eye worm) hypothetical protein 0.0082 0.0224 0.0224
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0045 0.0026
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0898 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 0.1005 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0071 0.0053
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.009 0.0726
Loa Loa (eye worm) hypothetical protein 0.0041 0.0082 0.0082
Onchocerca volvulus 0.0043 0.009 0.0511
Schistosoma mansoni importin beta-1 0.0035 0.006 0.0042
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0071 0.0053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.013 0.0112
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.009 0.0072
Brugia malayi RNA, U transporter 1 0.0099 0.0281 0.0281
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0041 0.0227
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0029 0.0011
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2918 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.009 0.0814
Toxoplasma gondii fructose-bisphospatase II 0.2918 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0044 0.009 0.0072
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0037 0.0193
Echinococcus multilocularis geminin 0.0205 0.0645 0.0628
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.0194 0.0194
Schistosoma mansoni hypothetical protein 0.0082 0.0224 0.0206
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2918 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0309 0.1005 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0028 0.0102
Schistosoma mansoni hypothetical protein 0.0038 0.0071 0.0053
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0049 0.0031
Leishmania major hypothetical protein, conserved 0.0225 0.0715 0.0698
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0028 0.2408
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.009 0.0072
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.013 0.0112
Brugia malayi Heterochromatin protein 1 0.0074 0.0194 0.0194
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.006 0.0042
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.1085 0.3681 0.3669
Loa Loa (eye worm) beta-lactamase 0.0043 0.009 0.009
Mycobacterium ulcerans beta-lactamase 0.0043 0.009 0.1621
Plasmodium vivax hypothetical protein, conserved 0.0043 0.009 1
Onchocerca volvulus 0.0043 0.009 0.0511
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Brugia malayi Pre-SET motif family protein 0.0032 0.0049 0.0049
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.009 0.0072
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0028 0.0028
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0026 0.0029 0.0124
Loa Loa (eye worm) hypothetical protein 0.0286 0.0924 0.0924
Loa Loa (eye worm) hypothetical protein 0.0035 0.006 0.006
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0028 0.001
Schistosoma mansoni chromobox protein 0.0074 0.0194 0.0176
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.009 0.0814
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0071 0.0071
Mycobacterium tuberculosis Conserved protein 0.0026 0.0029 0.0124
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Onchocerca volvulus 0.0043 0.009 0.0511
Schistosoma mansoni hypothetical protein 0.0038 0.0071 0.0053
Loa Loa (eye worm) hypothetical protein 0.0032 0.005 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.013 0.0112
Echinococcus granulosus importin subunit beta 1 0.0035 0.006 0.0042
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0151 0.046 1
Toxoplasma gondii ABC1 family protein 0.0043 0.009 0.0072
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0029 0.0011
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.0725
Brugia malayi hypothetical protein 0.0148 0.045 0.045
Loa Loa (eye worm) hypothetical protein 0.0032 0.0051 0.0051
Echinococcus granulosus snurportin 1 0.0372 0.1222 0.1206
Plasmodium vivax importin-beta 2, putative 0.0035 0.006 0.5831
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2813 0.28
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.009 0.0726
Loa Loa (eye worm) hypothetical protein 0.012 0.0355 0.0355
Brugia malayi hypothetical protein 0.0043 0.009 0.009
Trichomonas vaginalis set domain proteins, putative 0.025 0.0803 0.7954
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.009 0.0072
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.009 0.009
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0071 0.0071
Brugia malayi beta-lactamase family protein 0.0043 0.009 0.009
Echinococcus multilocularis musashi 0.0033 0.0052 0.0034
Brugia malayi beta-lactamase family protein 0.0043 0.009 0.009
Trypanosoma cruzi hypothetical protein, conserved 0.0225 0.0715 0.0698
Echinococcus granulosus geminin 0.0205 0.0645 0.0628
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0028 0.001
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0049 0.0031
Echinococcus granulosus chromobox protein 1 0.0074 0.0194 0.0176
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0924 0.0908
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0018 0.5
Echinococcus multilocularis citrate lyase subunit beta protein 0.0026 0.0029 0.0011
Giardia lamblia Fructose-bisphosphate aldolase 0.0309 0.1005 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2813 0.28
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0193 0.0175
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0071 0.0053
Echinococcus granulosus lamin dm0 0.0033 0.0052 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.013 0.0112
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.009 0.0814
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0193 0.0175
Schistosoma mansoni survival motor neuron protein 0.0058 0.0141 0.0123
Schistosoma mansoni ran 0.0026 0.0028 0.001
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0028 0.1404
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.013 0.013
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.009 0.0072
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.009 0.0072
Mycobacterium ulcerans hypothetical protein 0.0026 0.0029 0.0248
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.009 0.0814
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.013 0.0112
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.006 0.0042
Echinococcus multilocularis lamin dm0 0.0033 0.0052 0.0034
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.0698 0.0698
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.009 0.0726
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.1005 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.009 0.0072
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0193 0.395
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0151 0.046 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0028 0.001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0071 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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) 4.1475 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) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 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 (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 18.3564 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 31.6228 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

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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