Detailed information for compound 1444758

Basic information

Technical information
  • TDR Targets ID: 1444758
  • Name: 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-d ihydroquinazolin-5-one
  • MW: 275.346 | Formula: C15H21N3O2
  • H donors: 1 H acceptors: 3 LogP: 1.89 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(C)(C)Cc2c1cnc(n2)NCC1CCCO1
  • InChi: 1S/C15H21N3O2/c1-15(2)6-12-11(13(19)7-15)9-17-14(18-12)16-8-10-4-3-5-20-10/h9-10H,3-8H2,1-2H3,(H,16,17,18)
  • InChiKey: PVNQGMOTTHXXGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7,7-dimethyl-2-(tetrahydrofuran-2-ylmethylamino)-6,8-dihydroquinazolin-5-one
  • 7,7-dimethyl-2-(2-tetrahydrofuranylmethylamino)-6,8-dihydroquinazolin-5-one
  • 7,7-dimethyl-2-(tetrahydrofurfurylamino)-6,8-dihydroquinazolin-5-one
  • STK207023
  • MLS000041654
  • SMR000046160

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 50 um PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)] ChEMBL. No reference
Potency (functional) 8.1995 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) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) = 14.1254 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) 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) 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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