Detailed information for compound 1440224

Basic information

Technical information
  • TDR Targets ID: 1440224
  • Name: N-(2-methoxy-5-methylphenyl)-2-(3-pyrrolidin- 1-ylquinoxalin-2-yl)sulfanylacetamide
  • MW: 408.517 | Formula: C22H24N4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CSc1nc2ccccc2nc1N1CCCC1)C
  • InChi: 1S/C22H24N4O2S/c1-15-9-10-19(28-2)18(13-15)23-20(27)14-29-22-21(26-11-5-6-12-26)24-16-7-3-4-8-17(16)25-22/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,27)
  • InChiKey: LLVSYNWYEAISQQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methoxy-5-methyl-phenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide
  • N-(2-methoxy-5-methylphenyl)-2-[(3-1-pyrrolidinyl-2-quinoxalinyl)thio]acetamide
  • N-(2-methoxy-5-methyl-phenyl)-2-[(3-pyrrolidin-1-ylquinoxalin-2-yl)thio]acetamide
  • N-(2-methoxy-5-methyl-phenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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 japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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 expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative 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
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
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 bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii hypothetical protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Heat shock protein HSP 90-alpha 0.0108 0.3291 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1077 0.1211
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0022 0.0053 0.009
Echinococcus granulosus lysine specific demethylase 6a 0.0027 0.0256 0.044
Plasmodium falciparum JmjC domain-containing protein, putative 0.0027 0.0256 0.063
Trypanosoma brucei heat shock protein, putative 0.0108 0.3291 1
Trypanosoma cruzi heat shock protein 85, putative 0.0108 0.3291 1
Toxoplasma gondii thioredoxin reductase 0.0039 0.0681 0.1941
Echinococcus granulosus lysine specific demethylase 5A 0.0105 0.3182 0.5455
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1358 0.2361
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0582 0.0998
Schistosoma mansoni DNA topoisomerase II 0.0022 0.0053 0.0091
Schistosoma mansoni pyruvate dehydrogenase 0.0022 0.0053 0.0091
Plasmodium falciparum heat shock protein 90, putative 0.0044 0.0891 0.2588
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0582 0.1012
Echinococcus granulosus zinc finger protein 0.0024 0.0115 0.0197
Trichomonas vaginalis heat shock protein, putative 0.0086 0.2463 0.2423
Schistosoma mansoni jumonji/arid domain-containing protein 0.0105 0.3182 0.5532
Loa Loa (eye worm) hypothetical protein 0.0085 0.2441 0.2786
Plasmodium falciparum endoplasmin, putative 0.0066 0.1719 0.5145
Giardia lamblia Heat shock protein HSP 90-alpha 0.0086 0.2463 0.7443
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0681 0.1941
Echinococcus multilocularis heat shock protein 90 0.0086 0.2463 0.4222
Trypanosoma brucei trypanothione reductase 0.0039 0.0681 0.1941
Brugia malayi Pre-SET motif family protein 0.0036 0.0582 0.0613
Loa Loa (eye worm) hypothetical protein 0.0057 0.1358 0.1535
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1358 0.2328
Schistosoma mansoni hypothetical protein 0.0173 0.5751 1
Schistosoma mansoni hypothetical protein 0.0173 0.5751 1
Schistosoma mansoni jumonji domain containing protein 0.0027 0.0256 0.0446
Loa Loa (eye worm) hypothetical protein 0.0035 0.055 0.0603
Plasmodium falciparum phd finger protein, putative 0.0035 0.055 0.1537
Trypanosoma cruzi heat shock protein 90, putative 0.0064 0.1625 0.4855
Echinococcus granulosus heat shock protein 90 0.0108 0.3291 0.5642
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0681 0.0754
Echinococcus granulosus geminin 0.0173 0.5751 0.9859
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0532 0.0912
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1963 0.2233
Schistosoma mansoni endoplasmin 0.0108 0.3291 0.5723
Schistosoma mansoni phd/f-box containing protein 0.0027 0.0256 0.0446
Trypanosoma brucei heat shock protein, putative 0.0108 0.3291 1
Onchocerca volvulus 0.0036 0.0582 0.0532
Chlamydia trachomatis DNA gyrase subunit B 0.0022 0.0053 0.5
Echinococcus multilocularis endoplasmin 0.0086 0.2463 0.4222
Schistosoma mansoni hypothetical protein 0.0025 0.0163 0.0283
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Brugia malayi jmjC domain containing protein 0.0175 0.5833 0.6691
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1563 0.4664
Plasmodium vivax glutathione reductase, putative 0.0039 0.0681 0.1941
Echinococcus multilocularis zinc finger protein 0.0024 0.0115 0.0197
Loa Loa (eye worm) hypothetical protein 0.0022 0.0053 0.0028
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.003 0.0343 0.0589
Loa Loa (eye worm) hypothetical protein 0.0052 0.1164 0.1312
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0027 0.0256 0.063
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Echinococcus granulosus jumonji domain containing 1A 0.0027 0.0256 0.044
Trypanosoma brucei heat shock protein 84, putative 0.0044 0.0891 0.2588
Trichomonas vaginalis endoplasmin, putative 0.0066 0.1719 0.1675
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1563 0.4664
Brugia malayi Bromodomain containing protein 0.0046 0.0967 0.1058
Echinococcus multilocularis heat shock protein 90 0.0108 0.3291 0.5642
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1563 0.268
Trypanosoma cruzi heat shock protein 85, putative 0.0108 0.3291 1
Trypanosoma brucei heat shock protein, putative 0.0108 0.3291 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.2102 0.2394
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0098 0.2919 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0088 0.2548 0.8706
Entamoeba histolytica heat shock protein 90, putative 0.0108 0.3291 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0027 0.0256 0.044
Echinococcus granulosus phd:f box containing protein 0.0027 0.0256 0.044
Leishmania major heat shock protein, putative 0.0044 0.0891 0.2588
Trypanosoma brucei heat shock protein, putative 0.0108 0.3291 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0053 0.0028
Trypanosoma brucei heat shock protein, putative 0.0108 0.3291 1
Mycobacterium tuberculosis Probable reductase 0.0088 0.2548 0.8706
Echinococcus multilocularis jumonji domain containing 1A 0.0027 0.0256 0.044
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.055 0.1537
Trypanosoma brucei heat shock protein, putative 0.0108 0.3291 1
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0086 0.2463 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0256 0.0264
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0027 0.0256 0.063
Trypanosoma cruzi heat shock protein 90, putative 0.0086 0.2463 0.7443
Plasmodium vivax hypothetical protein, conserved 0.0035 0.055 0.1537
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0088 0.2548 0.8706
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0175 0.5833 1
Loa Loa (eye worm) heat shock protein 90 0.0108 0.3291 0.3767
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1563 0.2718
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0256 0.0264
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.8146 0.9369
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0086 0.2463 0.841
Trypanosoma brucei heat shock protein 90, putative 0.0108 0.3291 1
Leishmania major hypothetical protein, conserved 0.0027 0.0256 0.063
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0701 0.1201
Schistosoma mansoni heat shock protein 0.0044 0.0891 0.1549
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.055 0.0944
Trichomonas vaginalis heat shock protein, putative 0.0086 0.2463 0.2423
Brugia malayi glutathione reductase 0.0039 0.0681 0.0728
Brugia malayi Hsp90 protein 0.0044 0.0891 0.097
Plasmodium falciparum thioredoxin reductase 0.0039 0.0681 0.1941
Loa Loa (eye worm) heat shock protein 75 0.0044 0.0891 0.0996
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1563 0.6267
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1563 0.527
Brugia malayi Thioredoxin reductase 0.0039 0.0681 0.0728
Schistosoma mansoni zinc finger protein 0.0024 0.0115 0.02
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1563 0.268
Loa Loa (eye worm) hypothetical protein 0.0027 0.0256 0.0264
Echinococcus granulosus jumonji domain containing protein 0.0049 0.107 0.1834
Trypanosoma brucei heat shock protein, putative 0.0108 0.3291 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0256 0.0264
Trichomonas vaginalis heat shock protein, putative 0.0066 0.1719 0.1675
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0044 0.0891 0.0843
Giardia lamblia PHD finger protein 15 0.0035 0.055 0.1537
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0044 0.0891 0.1527
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0027 0.0256 0.0446
Echinococcus multilocularis heat shock protein 0.0108 0.3291 0.5642
Loa Loa (eye worm) TOPoisomerase family member 0.0022 0.0053 0.0028
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.025 0.0434
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0044 0.0891 0.2588
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0859 0.1472
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0086 0.2463 0.841
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1358 0.2361
Schistosoma mansoni hypothetical protein 0.0035 0.055 0.0957
Mycobacterium tuberculosis Probable dehydrogenase 0.0088 0.2548 0.8706
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0088 0.2548 0.8706
Schistosoma mansoni protein phosphatase 2C 0.0027 0.0256 0.0446
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.003 0.0343 0.0589
Trypanosoma cruzi heat shock protein 90, putative 0.0108 0.3291 1
Plasmodium vivax endoplasmin, putative 0.0108 0.3291 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.055 0.0957
Loa Loa (eye worm) glutathione reductase 0.0039 0.0681 0.0754
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.055 0.1537
Schistosoma mansoni bromodomain containing protein 0.0076 0.2103 0.3657
Loa Loa (eye worm) hypothetical protein 0.0022 0.0053 0.0028
Entamoeba histolytica heat shock protein 90, putative 0.0108 0.3291 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0582 0.1635
Echinococcus granulosus heat shock protein 90 0.0086 0.2463 0.4222
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1563 0.2718
Trichomonas vaginalis heat shock protein, putative 0.0044 0.0891 0.0843
Plasmodium vivax heat shock protein 90, putative 0.0044 0.0891 0.2588
Plasmodium falciparum heat shock protein 90 0.0108 0.3291 1
Brugia malayi Bromodomain containing protein 0.0038 0.0658 0.0701
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8692 1
Echinococcus multilocularis geminin 0.0173 0.5751 0.9859
Trypanosoma cruzi Heat shock protein 83, putative 0.0108 0.3291 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0088 0.2548 0.8706
Plasmodium vivax heat shock protein, putative 0.0044 0.0891 0.2588
Echinococcus granulosus endoplasmin 0.0086 0.2463 0.4222
Toxoplasma gondii heat shock protein HSP90 0.0108 0.3291 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.025 0.0428
Plasmodium vivax heat shock protein 86, putative 0.0108 0.3291 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0022 0.0053 0.009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0582 0.1012
Brugia malayi Pre-SET motif family protein 0.0251 0.8692 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0044 0.0891 0.2588
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0163 0.0156
Brugia malayi Endoplasmin precursor 0.0108 0.3291 0.3749
Schistosoma mansoni phosphatidylserine receptor 0.0027 0.0256 0.0446
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0859 0.1472
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0086 0.2463 0.4222
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0027 0.0256 0.063
Plasmodium falciparum heat shock protein 90, putative 0.0044 0.0891 0.2588
Plasmodium vivax JmjC domain containing protein 0.0027 0.0256 0.063
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0022 0.0053 0.009
Schistosoma mansoni endoplasmin 0.0108 0.3291 0.5723
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0088 0.2548 0.8706
Echinococcus multilocularis JmjC domain containing protein 4 0.0027 0.0256 0.044
Toxoplasma gondii heat shock protein 90, putative 0.0108 0.3291 1
Trichomonas vaginalis heat shock protein, putative 0.0108 0.3291 0.3256
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.2463 0.7443
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.194 0.3326
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1358 0.2328
Schistosoma mansoni heat shock protein 0.0108 0.3291 0.5723
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0098 0.2919 1
Treponema pallidum heat shock protein 90 0.0086 0.2463 1
Trypanosoma brucei heat shock protein 90, putative 0.0108 0.3291 1
Mycobacterium ulcerans heat shock protein 90 0.0086 0.2463 1
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0022 0.0053 0.009
Echinococcus multilocularis lysine specific demethylase 5A 0.0103 0.3095 0.5306
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0022 0.0053 0.009
Brugia malayi jmjC domain containing protein 0.0027 0.0256 0.0236
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0098 0.2919 1
Onchocerca volvulus Alhambra homolog 0.0035 0.055 0.0501
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.055 0.0944
Loa Loa (eye worm) jmjC domain-containing protein 0.0105 0.3182 0.364
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0027 0.0256 0.063
Brugia malayi jmjC domain containing protein 0.0027 0.0256 0.0236
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1563 0.6267
Trypanosoma cruzi heat shock protein, putative 0.0044 0.0891 0.2588
Brugia malayi follicle stimulating hormone receptor 0.0237 0.8146 0.9367
Trypanosoma brucei heat shock protein, putative 0.0108 0.3291 1
Schistosoma mansoni jumonji domain containing protein 0.0152 0.4941 0.8591
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0044 0.0891 0.1527
Echinococcus granulosus peregrin 0.0038 0.0658 0.1128
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0681 0.2194
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.025 0.0428
Brugia malayi PHD-finger family protein 0.0035 0.055 0.0576
Echinococcus granulosus heat shock protein 0.0108 0.3291 0.5642
Brugia malayi Bromodomain containing protein 0.0091 0.2636 0.299
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0701 0.1201
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0105 0.3182 0.5532
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0256 0.0264
Schistosoma mansoni heat shock protein 0.0108 0.3291 0.5723
Plasmodium falciparum glutathione reductase 0.0039 0.0681 0.1941
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0086 0.2463 0.7443
Toxoplasma gondii heat shock protein 75, putative 0.0044 0.0891 0.2588
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0098 0.2919 1
Trichomonas vaginalis heat shock protein, putative 0.0086 0.2463 0.2423
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.194 0.3326
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0681 0.1941
Loa Loa (eye worm) hypothetical protein 0.0046 0.097 0.1087
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1563 0.6267
Echinococcus granulosus JmjC domain containing protein 4 0.0027 0.0256 0.044
Brugia malayi heat shock protein 90 0.0108 0.3291 0.3749
Leishmania major heat shock protein 83-1 0.0108 0.3291 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0582 0.1635
Echinococcus multilocularis peregrin 0.0038 0.0658 0.1128
Leishmania major trypanothione reductase 0.0039 0.0681 0.1941
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0175 0.5833 1
Brugia malayi PHD-finger family protein 0.003 0.0357 0.0353
Brugia malayi jmjC domain containing protein 0.0027 0.0256 0.0236
Trypanosoma cruzi heat shock protein 85, putative 0.0108 0.3291 1
Echinococcus multilocularis phd:f box containing protein 0.0027 0.0256 0.044
Loa Loa (eye worm) endoplasmin 0.0108 0.3291 0.3767
Trypanosoma brucei Heat shock protein 83, putative 0.0108 0.3291 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.107 0.1834
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0027 0.0256 0.063
Brugia malayi jmjC domain containing protein 0.0027 0.0256 0.0236
Chlamydia trachomatis DNA gyrase subunit B 0.0022 0.0053 0.5
Giardia lamblia Grp94/Hsp90 0.0086 0.2463 0.7443
Brugia malayi jmjC domain containing protein 0.0105 0.3182 0.3622
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.055 0.0603
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0022 0.0053 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 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) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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