Detailed information for compound 1288799

Basic information

Technical information
  • TDR Targets ID: 1288799
  • Name: ethyl 4-phenyl-2-[(2-phenylsulfanylacetyl)ami no]thiophene-3-carboxylate
  • MW: 397.51 | Formula: C21H19NO3S2
  • H donors: 1 H acceptors: 2 LogP: 5.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(scc1c1ccccc1)NC(=O)CSc1ccccc1
  • InChi: 1S/C21H19NO3S2/c1-2-25-21(24)19-17(15-9-5-3-6-10-15)13-27-20(19)22-18(23)14-26-16-11-7-4-8-12-16/h3-13H,2,14H2,1H3,(H,22,23)
  • InChiKey: XSEFYLDFHLGDAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[1-oxo-2-(phenylthio)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
  • 4-phenyl-2-[[2-(phenylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester
  • ethyl 4-phenyl-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate
  • Oprea1_679976
  • Thiophene-3-carboxylic acid, 4-phenyl-2-phenylthioacetylamino,ethyl ester
  • Oprea1_527205
  • BAS 01181146
  • MLS000564593
  • 4-Phenyl-2-(2-phenylsulfanyl-acetylamino)-thiophene-3-carboxylic acid ethyl ester
  • Ethyl 4-phenyl-2-([(phenylsulfanyl)acetyl]amino)-3-thiophenecarboxylate
  • A2136/0089694
  • ZINC02820113
  • SMR000176614
  • AE-848/13008320

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative 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
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein 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
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus bromodomain adjacent to zinc finger domain 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 expressed 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Cell death protein 3 homolog 0.0135 0.0633 0.0498
Schistosoma mansoni caspase-7 (C14 family) 0.0135 0.0633 0.0633
Mycobacterium ulcerans glutaminase 0.1484 0.9258 1
Schistosoma mansoni 6-phosphogluconolactonase 0.0045 0.0062 0.0062
Loa Loa (eye worm) transcription factor SMAD2 0.052 0.3098 0.3098
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.1049 0.6478 0.6456
Echinococcus granulosus citrate lyase subunit beta protein 0.0133 0.0623 0.0623
Trypanosoma brucei metacaspase 0.0135 0.0633 0.0575
Loa Loa (eye worm) hypothetical protein 0.0052 0.0103 0.0103
Trypanosoma cruzi polo-like protein kinase, putative 0.0513 0.3051 0.3008
Loa Loa (eye worm) hypothetical protein 0.0135 0.0633 0.0633
Trypanosoma brucei Metacaspase-4 0.0135 0.0633 0.0575
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0277 0.0277
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0142 0.0142
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0513 0.3051 0.3051
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0133 0.0623 0.0565
Onchocerca volvulus Hexokinase homolog 0.1004 0.6189 0.6134
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0204 0.0204
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0135 0.0633 0.0633
Trypanosoma brucei metacaspase 5, putative 0.0135 0.0633 0.0575
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0087 0.0087
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.1049 0.6478 0.6478
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0133 0.0623 0.0565
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0133 0.0623 0.0611
Loa Loa (eye worm) hypothetical protein 0.0085 0.0319 0.0319
Schistosoma mansoni hypothetical protein 0.035 0.2011 0.2011
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0503 0.2988 0.2988
Echinococcus multilocularis caspase 0.0503 0.2988 0.2988
Schistosoma mansoni hypothetical protein 0.0041 0.0036 0.0036
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0135 0.0633 0.0621
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.006 0.0158 0.0158
Trypanosoma brucei metacaspase MCA2 0.0135 0.0633 0.0575
Loa Loa (eye worm) hypothetical protein 0.0049 0.0088 0.0088
Echinococcus multilocularis caspase 2 0.0135 0.0633 0.0633
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0142 0.0142
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0685 0.4152 0.4448
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0633 0.0621
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0364 0.2099 1
Brugia malayi mbt repeat family protein 0.0058 0.0142 0.0142
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.1049 0.6478 0.6478
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0142 0.0142
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0135 0.0633 0.0621
Trichomonas vaginalis CAMK family protein kinase 0.0513 0.3051 0.325
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0135 0.0633 0.0621
Trypanosoma cruzi metacaspase 5, putative 0.0135 0.0633 0.0575
Brugia malayi glutaminase DH11.1 0.1484 0.9258 0.9258
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0133 0.0623 0.0611
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0158 0.0158
Echinococcus granulosus caspase 3 0.0369 0.2128 0.2128
Loa Loa (eye worm) hypothetical protein 0.0066 0.0192 0.0192
Loa Loa (eye worm) hexokinase 0.0495 0.2938 0.2938
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0204 0.0204
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0142 0.0142
Entamoeba histolytica serine/threonine protein kinase, putative 0.0513 0.3051 0.3008
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0087 0.0087
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0192 0.0192
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0142 0.0142
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1094 0.6766 0.7291
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0142 0.0142
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0192 0.0192
Mycobacterium ulcerans lipoprotein LpqF 0.0137 0.0646 0.0636
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1224 0.1224
Echinococcus granulosus caspase 0.0503 0.2988 0.2988
Brugia malayi hexokinase type II 0.0509 0.3025 0.3025
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0133 0.0623 0.0611
Leishmania major metacaspase, putative 0.0135 0.0633 0.0575
Mycobacterium ulcerans hypothetical protein 0.0133 0.0623 0.0611
Entamoeba histolytica hypothetical protein 0.0079 0.0277 0.0216
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0133 0.0623 0.0611
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.1049 0.6478 0.6456
Echinococcus granulosus 6 phosphogluconolactonase 0.0045 0.0062 0.0062
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0633 0.0621
Schistosoma mansoni serine/threonine protein kinase 0.0513 0.3051 0.3051
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1094 0.6766 0.7291
Onchocerca volvulus 0.1004 0.6189 0.6134
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0204 0.0204
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0133 0.0623 0.0565
Loa Loa (eye worm) hypothetical protein 0.0046 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.1092 0.6749 0.6749
Loa Loa (eye worm) glutaminase 0.1484 0.9258 0.9258
Loa Loa (eye worm) MH2 domain-containing protein 0.052 0.3098 0.3098
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1224 0.1224
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0087 0.0087
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0087 0.0087
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0204 0.0204
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0204 0.0204
Brugia malayi Hexokinase family protein 0.1004 0.6189 0.6189
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0135 0.0633 0.0621
Trypanosoma brucei metacaspase MCA3 0.0135 0.0633 0.0575
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0633 0.0621
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0192 0.0192
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0087 0.0087
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.1094 0.6766 0.6548
Loa Loa (eye worm) RNA binding protein 0.0067 0.0204 0.0204
Trichomonas vaginalis CAMK family protein kinase 0.0513 0.3051 0.325
Echinococcus multilocularis 6 phosphogluconolactonase 0.0045 0.0062 0.0062
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0513 0.3051 0.3051
Entamoeba histolytica hypothetical protein 0.0079 0.0277 0.0216
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0087 0.0087
Schistosoma mansoni glutaminase 0.1484 0.9258 0.9258
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0633 0.0621
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0348 0.1995 0.1946
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.1049 0.6478 0.6478
Brugia malayi Bromodomain containing protein 0.0046 0.0069 0.0069
Brugia malayi glucose-6-phosphate dehydrogenase 0.1049 0.6478 0.6478
Brugia malayi TAR-binding protein 0.0067 0.0204 0.0204
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.1094 0.6766 0.6548
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.1049 0.6478 0.6978
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0284 0.1591 0.6557
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0087 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0204 0.0204
Trypanosoma cruzi metacaspase, putative 0.0135 0.0633 0.0575
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0137 0.0646 0.0153
Trypanosoma cruzi metacaspase 5, putative 0.0135 0.0633 0.0575
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0204 0.0204
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0158 0.0158
Trypanosoma cruzi polo-like protein kinase, putative 0.0513 0.3051 0.3008
Trichomonas vaginalis CAMK family protein kinase 0.0513 0.3051 0.325
Brugia malayi 6-phosphogluconolactonase family protein 0.0045 0.0062 0.0062
Trichomonas vaginalis CAMK family protein kinase 0.0254 0.1396 0.1451
Entamoeba histolytica hypothetical protein 0.0079 0.0277 0.0216
Giardia lamblia Kinase, PLK 0.0513 0.3051 0.4458
Echinococcus multilocularis citrate lyase subunit beta protein 0.0133 0.0623 0.0623
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0685 0.4152 0.3757
Trypanosoma cruzi metacaspase, putative 0.0135 0.0633 0.0575
Echinococcus granulosus caspase 8 0.0135 0.0633 0.0633
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0192 0.0192
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0158 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0633 0.0621
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0503 0.2988 0.2988
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0135 0.0633 0.0621
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0135 0.0633 0.0633
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0142 0.0142
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0135 0.0633 0.0621
Schistosoma mansoni kinase 0.0261 0.1439 0.1439
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0277 0.0277
Schistosoma mansoni hypothetical protein 0.0079 0.0277 0.0277
Brugia malayi mbt repeat family protein 0.0058 0.0142 0.0142
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0087 0.0087
Entamoeba histolytica hypothetical protein 0.0079 0.0277 0.0216
Loa Loa (eye worm) hexokinase 0.1004 0.6189 0.6189
Mycobacterium ulcerans hypothetical protein 0.0133 0.0623 0.0611
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0204 0.0204
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0204 0.0204
Trypanosoma cruzi hypothetical protein, conserved 0.1155 0.7154 0.7137
Brugia malayi Cell death protein 3 precursor 0.0135 0.0633 0.0633
Trypanosoma brucei polo-like protein kinase 0.0513 0.3051 0.3008
Loa Loa (eye worm) 6-phosphogluconolactonase 0.0045 0.0062 0.0062
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0135 0.0633 0.0621
Loa Loa (eye worm) glutaminase 2 0.1484 0.9258 0.9258
Trichomonas vaginalis CAMK family protein kinase 0.0513 0.3051 0.325
Trypanosoma brucei hypothetical protein, conserved 0.1155 0.7154 0.7137
Trichomonas vaginalis CAMK family protein kinase 0.0513 0.3051 0.325
Brugia malayi Hexokinase family protein 0.0495 0.2938 0.2938
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0284 0.1591 0.1663
Trypanosoma brucei beta lactamase 0.0137 0.0646 0.0588
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0135 0.0633 0.0621
Schistosoma mansoni caspase-3 (C14 family) 0.0503 0.2988 0.2988
Trichomonas vaginalis CAMK family protein kinase 0.0513 0.3051 0.325
Trypanosoma cruzi metacaspase, putative 0.0135 0.0633 0.0575
Echinococcus multilocularis caspase 3 0.0369 0.2128 0.2128
Loa Loa (eye worm) hypothetical protein 0.0509 0.3025 0.3025
Brugia malayi MH2 domain containing protein 0.052 0.3098 0.3098
Leishmania major hypothetical protein, conserved 0.1155 0.7154 0.7137
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0338 0.1931 0.1881
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0142 0.0142
Trichomonas vaginalis conserved hypothetical protein 0.0135 0.0633 0.0621
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0137 0.0646 1
Echinococcus granulosus caspase 2 0.0135 0.0633 0.0633
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.1049 0.6478 1
Echinococcus granulosus tar DNA binding protein 0.0067 0.0204 0.0204
Brugia malayi Bromodomain containing protein 0.0091 0.0352 0.0352
Schistosoma mansoni 6-phosphogluconolactonase 0.0045 0.0062 0.0062
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.1094 0.6766 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0513 0.3051 0.3051
Brugia malayi RNA binding protein 0.0067 0.0204 0.0204
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0036 0.0036
Echinococcus multilocularis caspase 8 0.0135 0.0633 0.0633
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0513 0.3051 0.3051
Loa Loa (eye worm) MBCTL1 0.0066 0.0192 0.0192
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.1049 0.6478 0.6456
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.1049 0.6478 0.6456
Loa Loa (eye worm) hypothetical protein 0.0041 0.0036 0.0036
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.1094 0.6766 0.6548
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0192 0.0192
Trichomonas vaginalis CAMK family protein kinase 0.0254 0.1396 0.1451
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0135 0.0633 0.0621
Schistosoma mansoni glucosamine-6-phosphate isomerase 0.0045 0.0062 0.0062
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0277 0.0277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0087 0.0087
Schistosoma mansoni caspase-7 (C14 family) 0.0503 0.2988 0.2988
Schistosoma mansoni bromodomain containing protein 0.0076 0.0262 0.0262
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0513 0.3051 0.3008
Brugia malayi hypothetical protein 0.0079 0.0277 0.0277
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.1094 0.6766 0.7291
Loa Loa (eye worm) hypothetical protein 0.0058 0.0142 0.0142
Trypanosoma cruzi metacaspase, putative 0.0135 0.0633 0.0575
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0509 0.3025 0.3025
Trichomonas vaginalis glutaminase, putative 0.1484 0.9258 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0192 0.0192
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0234 0.0234
Onchocerca volvulus Serine\/threonine kinase homolog 0.0513 0.3051 0.2951
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0135 0.0633 0.0633
Trichomonas vaginalis CAMK family protein kinase 0.0513 0.3051 0.325
Trypanosoma cruzi hypothetical protein, conserved 0.1155 0.7154 0.7137
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.1049 0.6478 0.6478

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 28.1838 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 56.2341 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) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.

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