Detailed information for compound 1385136

Basic information

Technical information
  • TDR Targets ID: 1385136
  • Name: 1-(4-phenylsulfanylphenyl)ethanone
  • MW: 228.309 | Formula: C14H12OS
  • H donors: 0 H acceptors: 1 LogP: 3.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)c1ccc(cc1)Sc1ccccc1
  • InChi: 1S/C14H12OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
  • InChiKey: XUDYHODVSUXRPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-(phenylthio)phenyl]ethanone
  • 10169-55-8
  • NSC158592
  • ST5410550
  • 1-[4-(phenylsulfanyl)phenyl]-1-ethanone
  • MLS000546365
  • SMR000169535
  • Ethanone, 1-[4-(phenylthio)phenyl]-
  • 1-(4-(Phenylthio)phenyl)ethan-1-one
  • EINECS 233-443-5
  • ZINC00143028
  • Maybridge1_003159

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans aldehyde dehydrogenase 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 Retinal dehydrogenase 1, 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase 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 mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative 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 multilocularis pyruvate kinase 0.0015 0.0112 0.006
Loa Loa (eye worm) pyruvate kinase 0.003 0.0354 0.022
Trypanosoma brucei trypanothione reductase 0.0034 0.0421 0.3018
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0499 0.366
Echinococcus granulosus pyruvate kinase 0.003 0.0354 0.0304
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0904 0.0857
Echinococcus granulosus dUTP pyrophosphatase 0.0606 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0017 0.0137 0.0137
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0137 0.0085
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0499 0.366
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.077 0.5883
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0617 0.0568
Onchocerca volvulus 0.006 0.0855 0.0642
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0562 0.0513
Brugia malayi Pre-SET motif family protein 0.0063 0.0904 0.0904
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0077 0.1143 0.2791
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0021 0.0205 0.0461
Echinococcus multilocularis pyruvate kinase 0.0015 0.0112 0.006
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0499 0.1144
Giardia lamblia Pyruvate kinase 0.003 0.0354 0.2472
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0211 0.3378 0.8508
Entamoeba histolytica hypothetical protein 0.0606 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0085 0.1273 0.1273
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0017 0.0137 0.0696
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0077 0.1143 0.2791
Echinococcus multilocularis L aminoadipate semialdehyde 0.0074 0.1096 0.105
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0617 0.0568
Toxoplasma gondii pyruvate kinase PyK1 0.003 0.0354 0.0304
Loa Loa (eye worm) hypothetical protein 0.0151 0.2385 0.2279
Plasmodium vivax glutathione reductase, putative 0.0034 0.0421 0.0371
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0017 0.0137 0.0217
Toxoplasma gondii thioredoxin reductase 0.0034 0.0421 0.0371
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.077 0.0722
Schistosoma mansoni serine/threonine protein kinase 0.0085 0.1273 0.1228
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0086 0.1287 0.3158
Loa Loa (eye worm) pyruvate kinase 0.003 0.0354 0.022
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1083 0.8442
Loa Loa (eye worm) dUTP diphosphatase 0.0606 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0499 0.0367
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0606 1 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0021 0.0205 0.0154
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.077 0.0642
Mycobacterium tuberculosis Conserved protein 0.0038 0.0499 0.1144
Brugia malayi acetyltransferase, GNAT family protein 0.0155 0.2442 0.2442
Schistosoma mansoni hypothetical protein 0.0181 0.2879 0.2842
Entamoeba histolytica serine/threonine protein kinase, putative 0.0085 0.1273 0.1152
Brugia malayi glutathione reductase 0.0034 0.0421 0.0421
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1083 0.2637
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0499 0.1144
Leishmania major hypothetical protein, conserved 0.0038 0.0499 0.366
Trichomonas vaginalis esterase, putative 0.0038 0.0499 0.0449
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0617 0.0568
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.077 0.0722
Loa Loa (eye worm) hypothetical protein 0.0038 0.0499 0.0367
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0017 0.0137 0.0255
Mycobacterium leprae Probable lipase LipE 0.0038 0.0499 0.0926
Loa Loa (eye worm) hypothetical protein 0.0038 0.0499 0.0367
Trypanosoma cruzi trypanothione reductase, putative 0.0034 0.0421 0.3018
Loa Loa (eye worm) hypothetical protein 0.0038 0.0499 0.0367
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0211 0.3378 0.3286
Loa Loa (eye worm) pyruvate kinase-PB 0.0021 0.0203 0.0067
Entamoeba histolytica hypothetical protein 0.0021 0.0205 0.0069
Onchocerca volvulus 0.0074 0.1096 0.095
Loa Loa (eye worm) acetyltransferase 0.0155 0.2442 0.2337
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0021 0.0205 0.0154
Loa Loa (eye worm) hypothetical protein 0.0063 0.0904 0.0778
Echinococcus granulosus muscleblind protein 0.0151 0.2385 0.2345
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0499 0.0449
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.077 0.5883
Mycobacterium ulcerans lipase LipD 0.0038 0.0499 0.1344
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0074 0.1096 0.105
Toxoplasma gondii pyruvate kinase PyKII 0.0015 0.0112 0.006
Chlamydia trachomatis pyruvate kinase 0.003 0.0354 0.0304
Trichomonas vaginalis CAMK family protein kinase 0.0085 0.1273 0.1228
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1136 0.109
Schistosoma mansoni kinase 0.0043 0.0581 0.0531
Entamoeba histolytica hypothetical protein 0.0211 0.3378 0.3286
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.077 0.5883
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.077 0.5883
Loa Loa (eye worm) hypothetical protein 0.0074 0.1096 0.0973
Plasmodium falciparum pyruvate kinase 0.003 0.0354 0.0304
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0009 0.0007 0.0007
Echinococcus granulosus pyruvate kinase 0.003 0.0354 0.0304
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0017 0.0137 0.0696
Plasmodium vivax pyruvate kinase 2, putative 0.0015 0.0112 0.006
Brugia malayi Pyruvate kinase, M2 isozyme 0.003 0.0354 0.0354
Toxoplasma gondii ABC1 family protein 0.0038 0.0499 0.0449
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0499 0.0449
Echinococcus multilocularis pyruvate kinase 0.0015 0.0112 0.006
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1136 0.109
Loa Loa (eye worm) RNA binding protein 0.0076 0.1136 0.1013
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1136 0.1136
Loa Loa (eye worm) hypothetical protein 0.006 0.0855 0.0729
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.077 0.5883
Echinococcus granulosus L aminoadipate semialdehyde 0.0074 0.1096 0.105
Schistosoma mansoni pyruvate kinase 0.0015 0.0112 0.006
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0086 0.1287 0.3409
Loa Loa (eye worm) hypothetical protein 0.0151 0.2385 0.2279
Loa Loa (eye worm) hypothetical protein 0.0021 0.0203 0.0067
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.077 0.0722
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0017 0.0137 0.0696
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0606 1 1
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0211 0.3378 1
Trichomonas vaginalis pyruvate kinase, putative 0.003 0.0354 0.0304
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0021 0.0205 0.0154
Mycobacterium tuberculosis Probable dehydrogenase 0.0077 0.1143 0.2791
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0155 0.2442 0.2403
Loa Loa (eye worm) glutathione reductase 0.0034 0.0421 0.0288
Leishmania major pyruvate kinase 0.003 0.0354 0.2472
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.077 0.0722
Plasmodium falciparum pyruvate kinase 2 0.0015 0.0112 0.006
Loa Loa (eye worm) hypothetical protein 0.0038 0.0499 0.0367
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0855 0.0808
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0553 0.0504
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0155 0.2442 0.2403
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0499 0.0449
Echinococcus multilocularis thioredoxin glutathione reductase 0.0034 0.0428 0.0378
Trichomonas vaginalis CAMK family protein kinase 0.0085 0.1273 0.1228
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0617 0.0568
Trypanosoma brucei pyruvate kinase 1, putative 0.003 0.0354 0.2472
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0904 0.0857
Trichomonas vaginalis CAMK family protein kinase 0.0085 0.1273 0.1228
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0085 0.1273 0.1228
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0904 0.0857
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0606 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.077 0.0722
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0499 0.366
Trichomonas vaginalis ap endonuclease, putative 0.0017 0.0137 0.0085
Entamoeba histolytica hypothetical protein 0.0396 0.6478 0.6429
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.077 0.0722
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.077 0.0722
Toxoplasma gondii exonuclease III APE 0.0017 0.0137 0.0085
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0021 0.0205 0.0154
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0499 0.1144
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1083 0.31
Onchocerca volvulus 0.0038 0.0499 0.0186
Plasmodium vivax thioredoxin reductase, putative 0.0034 0.0421 0.0371
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0077 0.1143 0.2956
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0021 0.0205 0.0461
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.003 0.0354 0.0772
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0499 0.1344
Schistosoma mansoni hypothetical protein 0.0181 0.2879 0.2842
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0017 0.0137 0.0085
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0499 0.1144
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0617 0.0568
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0245 0.3962 1
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0606 1 1
Echinococcus multilocularis pyruvate kinase 0.003 0.0354 0.0304
Brugia malayi beta-lactamase family protein 0.0038 0.0499 0.0499
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0499 0.0449
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1083 0.1036
Trichomonas vaginalis set domain proteins, putative 0.0497 0.8171 0.8161
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.237 0.233
Trichomonas vaginalis CAMK family protein kinase 0.0085 0.1273 0.1228
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0017 0.0137 0.0085
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0074 0.1096 0.1096
Echinococcus multilocularis tumor protein p63 0.0408 0.6682 0.6665
Schistosoma mansoni pyruvate kinase 0.003 0.0354 0.0304
Onchocerca volvulus 0.0038 0.0499 0.0186
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0077 0.1143 0.2791
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0017 0.0137 0.0085
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0553 0.4107
Trypanosoma cruzi pyruvate kinase 2, putative 0.003 0.0354 0.2472
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1136 0.109
Mycobacterium tuberculosis Conserved protein 0.0038 0.0499 0.1144
Treponema pallidum exodeoxyribonuclease (exoA) 0.0017 0.0137 0.0085
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0211 0.3378 1
Echinococcus multilocularis muscleblind protein 1 0.0151 0.2385 0.2345
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0904 0.0857
Entamoeba histolytica hypothetical protein 0.0396 0.6478 0.6429
Entamoeba histolytica pyruvate kinase, putative 0.0021 0.0203 0.0067
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0021 0.0205 0.0392
Trypanosoma cruzi polo-like protein kinase, putative 0.0085 0.1273 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0499 0.0449
Brugia malayi Muscleblind-like protein 0.0151 0.2385 0.2385
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0553 0.0422
Trypanosoma brucei polo-like protein kinase 0.0085 0.1273 1
Onchocerca volvulus 0.0063 0.0904 0.0704
Echinococcus multilocularis muscleblind protein 0.0151 0.2385 0.2345
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0499 0.0499
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.077 0.0722
Onchocerca volvulus 0.0038 0.0499 0.0186
Schistosoma mansoni pyruvate kinase 0.003 0.0354 0.0304
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0021 0.0205 0.0154
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0499 0.0926
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0606 1 1
Echinococcus multilocularis pyruvate kinase 0.0023 0.0249 0.0198
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1083 0.1036
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0499 0.0449
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0904 0.0857
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.077 0.0722
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0606 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0499 0.1344
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1136 0.1013
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.077 0.5883
Onchocerca volvulus Serine\/threonine kinase homolog 0.0085 0.1273 0.1176
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0606 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0205 0.1255
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0085 0.1273 0.1152
Trypanosoma cruzi polo-like protein kinase, putative 0.0085 0.1273 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1136 0.109
Brugia malayi RNA binding protein 0.0076 0.1136 0.1136
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0606 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0017 0.0137 0.0696
Brugia malayi MAP kinase sur-1 0.0055 0.077 0.077
Brugia malayi beta-lactamase 0.0038 0.0499 0.0499
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1083 0.1036
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0021 0.0205 0.0154
Wolbachia endosymbiont of Brugia malayi deoxycytidine triphosphate deaminase 0.0211 0.3378 0.3344
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0499 0.0449
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0617 0.0568
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0606 1 1
Loa Loa (eye worm) pyruvate kinase 0.003 0.0354 0.022
Leishmania major trypanothione reductase 0.0034 0.0421 0.3018
Trichomonas vaginalis ap endonuclease, putative 0.0017 0.0137 0.0085
Mycobacterium tuberculosis Probable oxidoreductase 0.0086 0.1287 0.3158
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0606 1 1
Mycobacterium tuberculosis Probable reductase 0.0077 0.1143 0.2791
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0211 0.3378 1
Brugia malayi Pre-SET motif family protein 0.0437 0.7161 0.7161
Plasmodium vivax pyruvate kinase, putative 0.003 0.0354 0.0304
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1136 0.109
Mycobacterium ulcerans hypothetical protein 0.0038 0.0499 0.1344
Loa Loa (eye worm) hypothetical protein 0.003 0.0354 0.022
Echinococcus granulosus pyruvate kinase 0.0015 0.0112 0.006
Echinococcus multilocularis geminin 0.0181 0.2879 0.2842
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1083 0.1036
Brugia malayi Thioredoxin reductase 0.0034 0.0421 0.0421
Brugia malayi TAR-binding protein 0.0076 0.1136 0.1136
Loa Loa (eye worm) thioredoxin reductase 0.0034 0.0421 0.0288
Mycobacterium tuberculosis Conserved protein 0.0038 0.0499 0.1144
Echinococcus granulosus pyruvate kinase 0.0015 0.0112 0.006
Loa Loa (eye worm) hypothetical protein 0.0038 0.0499 0.0367
Plasmodium falciparum thioredoxin reductase 0.0034 0.0421 0.0371
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0499 0.0367
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0904 0.0857
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0606 1 1
Brugia malayi beta-lactamase family protein 0.0038 0.0499 0.0499
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0904 0.0857
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1136 0.109
Giardia lamblia Pyruvate kinase 0.0015 0.0112 0.049
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1083 0.31
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1083 0.1036
Trypanosoma brucei protein kinase, putative 0.0055 0.077 0.5883
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0499 0.0449
Echinococcus multilocularis dUTP pyrophosphatase 0.0606 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0012 0.0052 0.0052
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0499 0.0449
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1083 0.31
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1136 0.1013
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0085 0.1273 0.1228
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0437 0.7161 0.7122
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0021 0.0205 0.0154
Echinococcus granulosus pyruvate kinase 0.0015 0.0112 0.006
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0211 0.3378 0.3286
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.077 0.0722
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0606 1 1
Leishmania major phosphopantetheinyl transferase-like protein 0.0021 0.0205 0.1255
Plasmodium falciparum glutathione reductase 0.0034 0.0421 0.0371
Trypanosoma cruzi pyruvate kinase 2, putative 0.003 0.0354 0.2472
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.077 0.5883
Trichomonas vaginalis CAMK family protein kinase 0.0085 0.1273 0.1228
Echinococcus granulosus thioredoxin glutathione reductase 0.0034 0.0428 0.0378
Leishmania major pyruvate kinase 0.003 0.0354 0.2472
Echinococcus multilocularis pyruvate kinase 0.003 0.0354 0.0304
Mycobacterium leprae Probable pyruvate kinase PykA 0.003 0.0354 0.0469
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0137 0.0085
Echinococcus granulosus tumor protein p63 0.0408 0.6682 0.6665
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0077 0.1143 0.2791
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0499 0.0449
Loa Loa (eye worm) beta-lactamase 0.0038 0.0499 0.0367
Trypanosoma brucei pyruvate kinase 1 0.003 0.0354 0.2472
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0499 0.1144
Mycobacterium ulcerans pyruvate kinase 0.003 0.0354 0.0908
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0085 0.1273 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.003 0.0354 0.0354
Chlamydia trachomatis deoxycytidine triphosphate deaminase 0.0211 0.3378 0.3344
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0499 0.1144
Mycobacterium ulcerans beta-lactamase 0.0038 0.0499 0.1344
Giardia lamblia Kinase, PLK 0.0085 0.1273 1
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0562 0.0513
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0606 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0086 0.1287 0.3158
Schistosoma mansoni ap endonuclease 0.0017 0.0137 0.0085
Entamoeba histolytica hypothetical protein 0.0606 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0034 0.0421 0.0943
Trichomonas vaginalis pyruvate kinase, putative 0.003 0.0354 0.0304
Trichomonas vaginalis CAMK family protein kinase 0.0085 0.1273 0.1228
Schistosoma mansoni ap endonuclease 0.0017 0.0137 0.0085
Echinococcus granulosus tar DNA binding protein 0.0076 0.1136 0.109
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.077 0.5883
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0606 1 1
Echinococcus granulosus geminin 0.0181 0.2879 0.2842
Trichomonas vaginalis CAMK family protein kinase 0.0085 0.1273 0.1228
Onchocerca volvulus 0.0497 0.8171 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0017 0.0137 0.0696
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0499 0.1144
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0866 0.0818
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0904 0.0857
Plasmodium vivax SET domain protein, putative 0.0063 0.0904 0.0857

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 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) 18.526 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) = 35.4813 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) 42.5615 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 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) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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.