Detailed information for compound 1216220

Basic information

Technical information
  • TDR Targets ID: 1216220
  • Name: 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihyd ro-6H-quinazolin-5-one
  • MW: 261.32 | Formula: C14H19N3O2
  • H donors: 1 H acceptors: 3 LogP: 1.5 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CC(=O)c2c(C1)nc(nc2)NCC1CCCO1
  • InChi: 1S/C14H19N3O2/c1-9-5-12-11(13(18)6-9)8-16-14(17-12)15-7-10-3-2-4-19-10/h8-10H,2-7H2,1H3,(H,15,16,17)
  • InChiKey: IQLBMSRCTGEYAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-methyl-2-(tetrahydrofuran-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
  • 7-methyl-2-(2-tetrahydrofuranylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
  • 7-methyl-2-(tetrahydrofurfurylamino)-7,8-dihydro-6H-quinazolin-5-one
  • SMR000046631
  • MLS000082740
  • STOCK5S-08678

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Calpain 2 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 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
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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 multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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 family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
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 japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax hypothetical protein, conserved Calpain 2   324 aa 277 aa 19.9 %
Echinococcus granulosus calpain A Calpain 2   324 aa 297 aa 27.6 %
Schistosoma mansoni calpain (C02 family) Calpain 2   324 aa 318 aa 24.2 %
Echinococcus multilocularis calpain Calpain 2   324 aa 320 aa 31.9 %
Echinococcus granulosus calpain Calpain 2   324 aa 322 aa 31.7 %
Echinococcus multilocularis hypothetical protein Calpain 2   324 aa 297 aa 27.9 %
Schistosoma japonicum Calpain-9, putative Calpain 2   324 aa 275 aa 27.6 %
Schistosoma mansoni calpain C (C02 family) Calpain 2   324 aa 319 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0618 0.0618
Onchocerca volvulus 0.0037 0.0242 0.1736
Echinococcus granulosus chromobox protein 2 0.0014 0.0001 0.0006
Echinococcus granulosus calpain 5 0.0023 0.0098 0.0517
Schistosoma mansoni chromobox protein 0.0014 0.0001 0.0006
Echinococcus granulosus calpain A 0.0082 0.0705 0.3706
Entamoeba histolytica hypothetical protein 0.0043 0.0309 1
Brugia malayi hypothetical protein 0.002 0.0062 0.0161
Echinococcus multilocularis chromobox protein 1 0.0084 0.073 0.073
Brugia malayi fatty acid elongation protein 3 0.0076 0.065 0.1718
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0001 0.0001
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0223 0.0588
Schistosoma mansoni cpg binding protein 0.0035 0.0225 0.1182
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0076 0.065 0.1718
Brugia malayi CXXC zinc finger family protein 0.0033 0.0205 0.054
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0309 0.1621
Schistosoma mansoni chromobox protein 0.0014 0.0001 0.0006
Echinococcus granulosus chromobox protein 1 0.0084 0.073 0.3835
Loa Loa (eye worm) hypothetical protein 0.0049 0.0362 0.0957
Loa Loa (eye worm) calpain family protein 1 0.0078 0.0664 0.1757
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0076 0.065 0.4684
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0018 0.0095
Trypanosoma cruzi fatty acid elongase, putative 0.0378 0.3776 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.008 0.1077
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Echinococcus multilocularis Chromo domain 0.0014 0.0001 0.0001
Schistosoma mansoni elongation of fatty acids protein 1 0.0076 0.065 0.3413
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0705 0.3706
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0076 0.065 0.1718
Schistosoma mansoni calpain (C02 family) 0.0023 0.0098 0.0517
Schistosoma mansoni elongation of fatty acids protein 1 0.0076 0.065 0.3413
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0378 0.3776 1
Trypanosoma cruzi fatty acid elongase, putative 0.0076 0.065 0.1499
Loa Loa (eye worm) hypothetical protein 0.003 0.0174 0.0457
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0015 0.0009 0.0046
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Echinococcus multilocularis cpg binding protein 0.0035 0.0225 0.0225
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.008 0.1077
Loa Loa (eye worm) fatty acid elongation protein 3 0.0076 0.065 0.1718
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0098 0.0517
Brugia malayi calpain family protein 1 0.0078 0.0664 0.1757
Echinococcus multilocularis calpain family protein 1, d 0.0055 0.0425 0.0425
Schistosoma mansoni hypothetical protein 0.0014 0.0001 0.0006
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0223 0.1173
Brugia malayi jmjC domain containing protein 0.0115 0.1053 0.2786
Echinococcus multilocularis peregrin 0.0035 0.0223 0.0223
Loa Loa (eye worm) calpain 0.0023 0.0098 0.0257
Echinococcus multilocularis elongation of very long chain fatty acids 0.0076 0.065 0.065
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0018 0.0018
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.03 0.03
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.032 0.0844
Brugia malayi GNS1/SUR4 family protein 0.0076 0.065 0.1718
Leishmania major hypothetical protein, conserved 0.003 0.0174 0.0205
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.0378 0.3776 1
Echinococcus granulosus calpain A 0.0023 0.0098 0.0517
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0223 0.0588
Brugia malayi hypothetical protein 0.0043 0.0309 0.0814
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.0664 0.349
Schistosoma mansoni elongation of fatty acids protein 1 0.0076 0.065 0.3413
Leishmania major fatty acid elongase, putative 0.0378 0.3776 1
Schistosoma mansoni hypothetical protein 0.0197 0.1903 1
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0001 0.0006
Onchocerca volvulus 0.0055 0.0425 0.3058
Loa Loa (eye worm) calpain 5 0.0023 0.0098 0.0257
Leishmania major fatty acid elongase, putative 0.0378 0.3776 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0018 0.0044
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0018 0.0095
Schistosoma mansoni hypothetical protein 0.0197 0.1903 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0347 0.0916
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0174 0.0205
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0618 0.3247
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0018 0.0044
Brugia malayi jmjC domain containing protein 0.0045 0.032 0.0844
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.008 0.1077
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0018 0.0044
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.073 0.1931
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0347 0.4746
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0618 0.3247
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0425 0.1122
Echinococcus multilocularis calpain 7 (C02 family) 0.0023 0.0098 0.0098
Echinococcus granulosus geminin 0.0197 0.1903 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0347 0.2498
Trypanosoma cruzi fatty acid elongase, putative 0.0076 0.065 0.1499
Loa Loa (eye worm) fatty acid elongation protein 3 0.0076 0.065 0.1718
Echinococcus multilocularis chromobox protein 2 0.0014 0.0001 0.0001
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0618 0.5
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0223 0.1173
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0515 0.1362
Schistosoma mansoni hypothetical protein 0.0033 0.0203 0.1066
Schistosoma mansoni chromobox protein 0.0084 0.073 0.3835
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0043 0.0578
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1053 0.5531
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0174 0.0205
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0001 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0204 0.2789
Brugia malayi fatty acid elongation protein 3 0.0076 0.065 0.1718
Trypanosoma cruzi fatty acid elongase, putative 0.0378 0.3776 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0347 0.4746
Loa Loa (eye worm) hypothetical protein 0.0033 0.0203 0.0535
Schistosoma mansoni hypothetical protein 0.0035 0.0223 0.1173
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0203 0.0535
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0174 0.0457
Schistosoma mansoni cpg binding protein 0.0033 0.0205 0.1078
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0223 0.0588
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0204 0.2789
Trypanosoma brucei Fatty acid elongase 0.0076 0.065 0.1499
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0076 0.065 0.1499
Loa Loa (eye worm) hypothetical protein 0.0076 0.065 0.1718
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0366 0.1923
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0384 0.5254
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0362 0.0957
Schistosoma mansoni chromobox protein 0.0084 0.073 0.3835
Echinococcus multilocularis GPCR, family 2 0.0015 0.0018 0.0018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.008 0.1077
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0618 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0366 0.0366
Echinococcus multilocularis chromobox protein 1 0.0084 0.073 0.073
Trichomonas vaginalis chromobox protein, putative 0.0084 0.073 1
Trypanosoma brucei Fatty acid elongase 0.0076 0.065 0.1499
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0001 0.0006
Brugia malayi Bromodomain containing protein 0.0035 0.0223 0.0588
Schistosoma mansoni hypothetical protein 0.0043 0.0309 0.1621
Echinococcus multilocularis elongation of very long chain fatty acids 0.0076 0.065 0.065
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0618 0.5
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0076 0.065 0.4684
Brugia malayi hypothetical protein 0.003 0.0174 0.0457
Brugia malayi GNS1/SUR4 family protein 0.0378 0.3776 1
Echinococcus multilocularis hypothetical protein 0.0023 0.0098 0.0098
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0076 0.065 0.1718
Entamoeba histolytica hypothetical protein 0.0043 0.0309 1
Echinococcus granulosus calpain 0.0023 0.0098 0.0517
Loa Loa (eye worm) fatty acid elongation protein 3 0.0378 0.3776 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0043 0.0578
Trypanosoma cruzi fatty acid elongase, putative 0.0076 0.065 0.1499
Onchocerca volvulus Alhambra homolog 0.0035 0.0223 0.1604
Loa Loa (eye worm) hypothetical protein 0.0147 0.1386 0.3668
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0021 0.011
Leishmania major fatty acid elongase, putative 0.0378 0.3776 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0807 0.4242
Trypanosoma cruzi fatty acid elongase, putative 0.0076 0.065 0.1499
Plasmodium vivax calpain, putative 0.0023 0.0098 0.0257
Giardia lamblia PHD finger protein 15 0.0035 0.0223 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0205 0.054
Echinococcus granulosus elongation of very long chain fatty acids 0.0076 0.065 0.3413
Toxoplasma gondii fatty acid elongase 0.0076 0.065 0.1718
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0362 0.0957
Echinococcus granulosus Chromo domain 0.0014 0.0001 0.0006
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0594 0.3119
Trypanosoma cruzi fatty acid elongase, putative 0.0076 0.065 0.1499
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0618 0.1413
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.008 0.1077
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0384 0.2766
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.008 0.1077
Trypanosoma cruzi fatty acid elongase, putative 0.0076 0.065 0.1499
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.032 0.168
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0174 0.0457
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0174 0.0205
Entamoeba histolytica hypothetical protein 0.0043 0.0309 1
Brugia malayi PHD-finger family protein 0.0035 0.0223 0.0588
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0223 0.0588
Trypanosoma cruzi fatty acid elongase, putative 0.0378 0.3776 1
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0076 0.065 0.1718
Entamoeba histolytica protein kinase, putative 0.0023 0.0098 0.316
Brugia malayi calpain family protein 1 0.0078 0.0664 0.1757
Brugia malayi Fatty acid elongation protein 3 0.0378 0.3776 1
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0038 0.0499
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0082 0.0705 0.3706
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Brugia malayi fatty acid elongation protein 3 0.0076 0.065 0.1718
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0021 0.0052
Schistosoma mansoni hypothetical protein 0.0015 0.0018 0.0095
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Trichomonas vaginalis chromobox protein, putative 0.0084 0.073 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0618 0.1634
Loa Loa (eye worm) hypothetical protein 0.0055 0.0425 0.1122
Onchocerca volvulus 0.0147 0.1386 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.032 0.168
Trypanosoma brucei Fatty acid elongase 0.0378 0.3776 1
Brugia malayi calpain 7 0.0023 0.0098 0.0257
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0021 0.011
Schistosoma mansoni cpg binding protein 0.0035 0.0225 0.1182
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0001 0.0006
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0084 0.0218
Brugia malayi hypothetical protein 0.0147 0.1386 0.3668
Schistosoma mansoni hypothetical protein 0.0015 0.0018 0.0095
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.0378 0.3776 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0018 0.0018
Trypanosoma brucei Long chain fatty acyl elongase 0.0076 0.065 0.1499
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0309 0.1621
Entamoeba histolytica calpain large subunit domain III containing protein 0.0023 0.0098 0.316
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0174 0.0457
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0076 0.065 0.1718
Loa Loa (eye worm) hypothetical protein 0.0078 0.0664 0.1757
Loa Loa (eye worm) ELO-9 protein 0.0076 0.065 0.1718
Plasmodium vivax GNS1/SUR4 domain containing protein 0.0378 0.3776 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0064 0.0336
Schistosoma mansoni Mername-AA248 (C02 family) 0.0023 0.0098 0.0517
Brugia malayi fatty acid elongation protein 3 0.0076 0.065 0.1718
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0384 0.5254
Brugia malayi Heterochromatin protein 1 0.0084 0.073 0.1931
Onchocerca volvulus 0.0015 0.0009 0.0055
Loa Loa (eye worm) hypothetical protein 0.0055 0.0425 0.1122
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0078 0.0664 0.1757
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0618 0.5
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0082 0.0705 0.0705
Onchocerca volvulus 0.0033 0.0205 0.1473
Loa Loa (eye worm) hypothetical protein 0.0035 0.0223 0.0588
Brugia malayi CHD4 protein 0.0016 0.0021 0.0052
Brugia malayi chromobox protein homolog 3 0.0047 0.0347 0.0916
Schistosoma mansoni hypothetical protein 0.0015 0.0018 0.0095
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.032 0.168
Loa Loa (eye worm) fatty acid elongation protein 3 0.0076 0.065 0.1718
Echinococcus granulosus calpain 7 C02 family 0.0023 0.0098 0.0517
Schistosoma mansoni hypothetical protein 0.0015 0.0018 0.0095
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0309 0.0309
Loa Loa (eye worm) hypothetical protein 0.006 0.0484 0.1278
Echinococcus multilocularis calpain 0.0023 0.0098 0.0098
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0076 0.065 0.4684
Onchocerca volvulus 0.0076 0.065 0.4684
Brugia malayi SET domain containing protein 0.0015 0.0009 0.002
Onchocerca volvulus 0.0076 0.065 0.4684
Echinococcus granulosus elongation of very long chain fatty acids 0.0076 0.065 0.3413
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0611 0.1617
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0076 0.065 0.1499
Echinococcus granulosus GPCR family 2 0.0015 0.0018 0.0095
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0223 0.0223
Echinococcus multilocularis calpain A 0.0082 0.0705 0.0705
Echinococcus granulosus cpg binding protein 0.0035 0.0225 0.1182
Toxoplasma gondii GNS1/SUR4 family protein 0.0378 0.3776 1
Schistosoma mansoni elongation of fatty acids protein 1 0.0076 0.065 0.3413
Entamoeba histolytica hypothetical protein 0.0043 0.0309 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0362 0.0957
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0098 0.0517
Echinococcus multilocularis calpain 5 0.0023 0.0098 0.0098
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.0705 0.3706
Plasmodium falciparum phd finger protein, putative 0.0035 0.0223 0.0588
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.0378 0.3776 1
Echinococcus multilocularis geminin 0.0197 0.1903 0.1903
Trypanosoma cruzi fatty acid elongase, putative 0.0378 0.3776 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.008 0.1077
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0174 0.0457
Brugia malayi calpain 5 0.0023 0.0098 0.0257
Echinococcus granulosus chromobox protein 1 0.0084 0.073 0.3835
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0001 0.0001
Echinococcus granulosus peregrin 0.0035 0.0223 0.1173
Loa Loa (eye worm) hypothetical protein 0.0037 0.0242 0.0637
Schistosoma mansoni fatty acid acyl transferase-related 0.0076 0.065 0.3413
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.008 0.1077
Leishmania major fatty acid elongase, putative 0.0076 0.065 0.1499
Echinococcus granulosus Chromobox protein 3 0.0014 0.0001 0.0006
Schistosoma mansoni calpain C (C02 family) 0.0023 0.0098 0.0517
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1053 0.1053
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0618 0.3247
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0018 0.0044

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.330291968 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] 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) 9.285 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) 10.4179 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) 17.7828 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 112.2018 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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