Detailed information for compound 1407634

Basic information

Technical information
  • TDR Targets ID: 1407634
  • Name: [2-(4-dimethylaminophenyl)-3-phenylsulfonylim idazolidin-1-yl]-morpholin-4-ylmethanone
  • MW: 444.547 | Formula: C22H28N4O4S
  • H donors: 0 H acceptors: 3 LogP: 1.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)C1N(CCN1S(=O)(=O)c1ccccc1)C(=O)N1CCOCC1)C
  • InChi: 1S/C22H28N4O4S/c1-23(2)19-10-8-18(9-11-19)21-25(22(27)24-14-16-30-17-15-24)12-13-26(21)31(28,29)20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3
  • InChiKey: MXGACKIXFMEJIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(4-dimethylaminophenyl)-3-phenylsulfonyl-imidazolidin-1-yl]-morpholino-methanone
  • [2-(4-dimethylaminophenyl)-3-phenylsulfonyl-1-imidazolidinyl]-morpholinomethanone
  • [2-(4-dimethylaminophenyl)-3-phenylsulfonyl-imidazolidin-1-yl]-morpholin-4-yl-methanone
  • MLS000043308
  • N,N-dimethyl-N-{4-[1-(morpholin-4-ylcarbonyl)-3-(phenylsulfonyl)imidazolidin-2-yl]phenyl}amine
  • SMR000019928
  • EU-0049112

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein 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
Mycobacterium ulcerans 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 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
Mycobacterium ulcerans 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
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase 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
Schistosoma mansoni 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.1441 0.3371
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.4102 0.4102
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0008 0.0088 0.0014
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0812 0.1281
Schistosoma mansoni smad1 5 8 and 0.0008 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.005 0.1129 0.2737
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0088 0.0193
Schistosoma mansoni synaptojanin 0.0008 0.0088 0.0088
Entamoeba histolytica phosphoglycerate kinase, putative 0.0169 0.4102 1
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.084 0.1931
Leishmania major phosphoglycerate kinase C, glycosomal 0.0169 0.4102 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1717 0.2752
Brugia malayi MH1 domain containing protein 0.0008 0.0099 0.0219
Echinococcus multilocularis GPCR, family 2 0.0016 0.0288 0.0215
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0088 0.0073
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0288 0.0215
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1717 0.1655
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1028 0.2489
Plasmodium vivax phosphoglycerate kinase, putative 0.0169 0.4102 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0812 0.1281
Onchocerca volvulus 0.0037 0.0812 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0099 0.0025
Brugia malayi Phosphoglycerate kinase 0.0062 0.1441 0.3499
Loa Loa (eye worm) Smad1 0.0008 0.0099 0.0219
Echinococcus multilocularis cpg binding protein 0.003 0.0648 0.0578
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0088 0.0014
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1028 0.2489
Trypanosoma brucei phosphoglycerate kinase 0.0062 0.1441 0.3371
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0008 0.0088 0.0073
Loa Loa (eye worm) hypothetical protein 0.0008 0.0088 0.0193
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0008 0.0088 0.0193
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0288 0.068
Echinococcus granulosus smad 0.0008 0.0099 0.0025
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.084 0.1872
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0008 0.0088 0.0073
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0812 0.1862
Brugia malayi MH2 domain containing protein 0.0008 0.0099 0.0219
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.084 0.1931
Mycobacterium tuberculosis Conserved protein 0.0037 0.0812 0.1281
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0088 0.0193
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.084 0.1872
Echinococcus multilocularis deoxyribonuclease 1 2 0.0008 0.0088 0.0014
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0812 0.1281
Brugia malayi Smad1 0.0008 0.0099 0.0219
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2847 0.6934
Schistosoma mansoni carbon catabolite repressor protein 0.0008 0.0088 0.0088
Treponema pallidum phosphoglycerate kinase 0.0169 0.4102 1
Echinococcus granulosus traf and tnf receptor associated protein 0.0008 0.0088 0.0014
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0099 0.0025
Loa Loa (eye worm) hypothetical protein 0.0169 0.4102 1
Echinococcus multilocularis Smad4 0.0008 0.0099 0.0025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1028 0.0961
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0812 0.0743
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0169 0.4102 0.711
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0812 0.0743
Brugia malayi CXXC zinc finger family protein 0.0029 0.0608 0.1462
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.196
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0288 0.068
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.4102 1
Toxoplasma gondii exonuclease III APE 0.0038 0.084 0.1872
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.084 0.1872
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0812 0.1802
Schistosoma mansoni smad 0.0008 0.0099 0.0099
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.084 0.1331
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.084 0.1872
Leishmania major phosphoglycerate kinase B, cytosolic 0.0169 0.4102 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0115 0.0258
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0088 0.0073
Brugia malayi Phosphoglycerate kinase 0.0169 0.4102 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0099 0.0219
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0008 0.0088 0.0088
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0088 0.0193
Brugia malayi MH2 domain containing protein 0.0008 0.0099 0.0219
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0812 0.1802
Giardia lamblia Phosphoglycerate kinase 0.0169 0.4102 1
Mycobacterium ulcerans phosphoglycerate kinase 0.0169 0.4102 1
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.4102 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0088 0.0193
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0169 0.4102 1
Echinococcus granulosus Smad4 0.0008 0.0099 0.0025
Plasmodium falciparum phosphoglycerate kinase 0.0169 0.4102 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0812 0.196
Loa Loa (eye worm) hypothetical protein 0.0034 0.074 0.1785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1028 0.0961
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.1441 0.3371
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0812 0.196
Trypanosoma brucei phosphoglycerate kinase, putative 0.0062 0.1441 0.3371
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1403 0.1403
Chlamydia trachomatis phosphoglycerate kinase 0.0169 0.4102 0.5
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.1441 0.3371
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0088 0.0193
Brugia malayi beta-lactamase 0.0037 0.0812 0.196
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0812 0.0812
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0812 0.1862
Leishmania major hypothetical protein, conserved 0.0037 0.0812 0.1802
Echinococcus multilocularis smad 0.0008 0.0099 0.0025
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.4102 1
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0088 0.0014
Schistosoma mansoni smad1 5 8 and 0.0008 0.0099 0.0099
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1129 0.2737
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1028 0.1028
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.196
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0608 0.1462
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0088 0.0193
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1717 0.1717
Echinococcus multilocularis traf and tnf receptor associated protein 0.0008 0.0088 0.0014
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0169 0.4102 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1129 0.2737
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0812 0.1862
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0088 0.0193
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0088 0.0193
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.5733 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0812 0.1281
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0008 0.0088 0.0073
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0288 0.0215
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.4102 0.4102
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1717 0.1655
Echinococcus multilocularis neutral sphingomyelinase 0.0008 0.0088 0.0014
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0288 0.0215
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0099 0.0099
Onchocerca volvulus 0.0029 0.0608 0.718
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1242 0.2875
Brugia malayi MH1 domain containing protein 0.0008 0.0099 0.0219
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.084 0.1872
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.084 0.1872
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.074 0.1785
Schistosoma mansoni Smad4 0.0008 0.0099 0.0099
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.1441 0.3371
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0088 0.0193
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0008 0.0088 0.0014
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0099 0.0219
Mycobacterium tuberculosis Conserved protein 0.0037 0.0812 0.1281
Onchocerca volvulus 0.0037 0.0812 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.4102 1
Echinococcus granulosus phosphoglycerate kinase 1 0.0169 0.4102 0.4057
Brugia malayi MH2 domain containing protein 0.0119 0.2847 0.6934
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.084 0.2029
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0088 0.0073
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1717 0.4058
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0812 0.1281
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1717 0.4058
Trichomonas vaginalis Phospholipase C precursor, putative 0.0008 0.0088 0.0073
Schistosoma mansoni cpg binding protein 0.0029 0.0608 0.0608
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Brugia malayi beta-lactamase family protein 0.0037 0.0812 0.196
Mycobacterium tuberculosis Conserved protein 0.0037 0.0812 0.1281
Onchocerca volvulus 0.0037 0.0812 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.0812 0.196
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0812 0.1802
Schistosoma mansoni synaptojanin 0.0008 0.0088 0.0088
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.084 0.1872
Schistosoma mansoni cript-related 0.0008 0.0088 0.0088
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.4102 1
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0169 0.4102 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0812 0.1862
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0088 0.0193
Schistosoma mansoni hypothetical protein 0.0008 0.0088 0.0088
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0088 0.0193
Schistosoma mansoni nocturnin 0.0008 0.0088 0.0088
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0008 0.0088 0.0014
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0118 0.0265
Schistosoma mansoni neutral sphingomyelinase 0.0008 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0008 0.0088 0.0193
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0088 0.0193
Loa Loa (eye worm) hypothetical protein 0.0016 0.0288 0.068
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.084 0.0086
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0812 0.0812
Echinococcus granulosus GPCR family 2 0.0016 0.0288 0.0215
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1717 0.2752
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.196
Echinococcus granulosus neutral sphingomyelinase 0.0008 0.0088 0.0014
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0099 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1028 0.1028
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.196
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0288 0.068
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1717 0.2752
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.4102 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0812 0.1862
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0288 0.0215
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.196
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0088 0.0193
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1717 0.2885
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1028 0.0961
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0812 0.1281
Brugia malayi CCR4 0.0008 0.0088 0.0193
Trichomonas vaginalis esterase, putative 0.0037 0.0812 0.1862
Echinococcus multilocularis phosphoglycerate kinase 1 0.0169 0.4102 0.4057
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0088 0.0193
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0008 0.0088 0.0014
Schistosoma mansoni hypothetical protein 0.0034 0.074 0.074
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Schistosoma mansoni smad1 5 8 and 0.0008 0.0099 0.0099
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.1441 0.3371
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.084 0.0771
Schistosoma mansoni hypothetical protein 0.0016 0.0288 0.0288
Echinococcus multilocularis synaptojanin 1 0.0008 0.0088 0.0014
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2847 0.6934
Echinococcus granulosus cpg binding protein 0.003 0.0648 0.0578
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0062 0.1441 0.3371
Loa Loa (eye worm) hypothetical protein 0.0008 0.0088 0.0193
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0088 0.0193
Schistosoma mansoni ap endonuclease 0.0038 0.084 0.084
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Toxoplasma gondii ABC1 family protein 0.0037 0.0812 0.1802
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1717 0.1717
Echinococcus granulosus synaptojanin 1 0.0008 0.0088 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1028 0.0961
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Brugia malayi beta-lactamase family protein 0.0037 0.0812 0.196
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0008 0.0088 0.0073
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.084 0.2029
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.084 0.1872
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0812 0.1281
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1129 0.2737
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0169 0.4102 1
Schistosoma mansoni ap endonuclease 0.0038 0.084 0.084
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0099 0.0025
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0008 0.0088 0.0073
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.084 0.1872
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1028 0.1028
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0812 0.1802
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.196
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.084 0.0771

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.