Detailed information for compound 1873040

Basic information

Technical information
  • TDR Targets ID: 1873040
  • Name: 1-(1-cyclohex-3-enylmethylideneamino)-3-[3-(d imethylsulfamoyl)phenyl]thiourea
  • MW: 366.501 | Formula: C16H22N4O2S2
  • H donors: 2 H acceptors: 2 LogP: 2.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1cccc(c1)S(=O)(=O)N(C)C)N/N=C/C1CCC=CC1
  • InChi: 1S/C16H22N4O2S2/c1-20(2)24(21,22)15-10-6-9-14(11-15)18-16(23)19-17-12-13-7-4-3-5-8-13/h3-4,6,9-13H,5,7-8H2,1-2H3,(H2,18,19,23)/b17-12+
  • InChiKey: WCYAIURDYHCKOE-SFQUDFHCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1-cyclohex-3-enylmethyleneamino)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
  • MLS001002365
  • SMR000368888
  • T5267638

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Pseudomonas aeruginosa Beta Lactamase Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Class a beta-lactamase BlaC Get druggable targets OG5_143180 All targets in OG5_143180
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
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
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans class a beta-lactamase, BlaC Get druggable targets OG5_143180 All targets in OG5_143180
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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative 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
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
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
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.1643 0.2183
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0114 0.0171
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.2833 0.2833
Loa Loa (eye worm) hypothetical protein 0.0035 0.0266 0.0266
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0266 0.0937
Trypanosoma brucei beta lactamase 0.0077 0.1482 0.2218
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0139 0.0491
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.2833 0.2833
Schistosoma mansoni hypothetical protein 0.0372 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0075 0.0113
Echinococcus granulosus importin subunit beta 1 0.0035 0.0266 0.0266
Echinococcus granulosus peregrin 0.0035 0.0277 0.0277
Brugia malayi hypothetical protein 0.003 0.0139 0.0213
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.2833 0.2833
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.2833 0.2833
Loa Loa (eye worm) hypothetical protein 0.006 0.1004 0.1004
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0266 0.0398
Leishmania major importin beta-1 subunit, putative 0.0028 0.0075 0.0113
Brugia malayi Pre-SET motif family protein 0.0036 0.0301 0.0462
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0277 0.0977
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.2833 0.2833
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0139 0.5023
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0139 0.4617
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0491 0.0491
Onchocerca volvulus 0.0286 0.7525 1
Echinococcus granulosus geminin 0.0205 0.5172 0.5172
Echinococcus multilocularis geminin 0.0205 0.5172 0.5172
Plasmodium falciparum phd finger protein, putative 0.0035 0.0277 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0075 0.01
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0075 0.01
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0139 0.0208
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0114 0.0171
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2591 0.2591
Loa Loa (eye worm) hypothetical protein 0.003 0.0139 0.0139
Schistosoma mansoni importin beta-1 0.0035 0.0266 0.0266
Brugia malayi Bromodomain containing protein 0.0035 0.0277 0.0424
Onchocerca volvulus 0.0036 0.0301 0.0034
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.1643 0.1643
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0077 0.1482 0.3623
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0491 0.0491
Loa Loa (eye worm) hypothetical protein 0.0082 0.1643 0.1643
Giardia lamblia PHD finger protein 15 0.0035 0.0277 1
Brugia malayi Melibiase family protein 0.0082 0.1643 0.2519
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0277 0.0277
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0263 0.0263
Brugia malayi jmjC domain containing protein 0.0043 0.0491 0.0753
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.1643 0.1643
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0077 0.1482 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0491 0.0491
Echinococcus multilocularis peregrin 0.0035 0.0277 0.0277
Plasmodium vivax importin-beta 2, putative 0.0035 0.0266 0.8822
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0277 0.0277
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0301 0.0301
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.6682 1
Echinococcus multilocularis snurportin 1 0.0372 1 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.2833 0.2833
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0301 0.0301
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0114 0.0114
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0139 0.0208
Toxoplasma gondii melibiase subfamily protein 0.0124 0.2833 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0277 0.0277
Leishmania major hypothetical protein, conserved 0.0257 0.6682 1
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.016 0.389 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0075 0.01
Brugia malayi jmjC domain containing protein 0.0115 0.2591 0.3973
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0114 0.0171
Mycobacterium ulcerans lipoprotein LpqF 0.0077 0.1482 0.3623
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.136 0.136
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0035 0.0277 0.0277
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0139 0.0208
Brugia malayi RNA, U transporter 1 0.0099 0.2121 0.3252
Schistosoma mansoni hypothetical protein 0.0205 0.5172 0.5172
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0301 0.0301
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0301 0.0301
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0139 0.5023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0301 0.0301
Loa Loa (eye worm) hypothetical protein 0.0036 0.0301 0.0301
Plasmodium falciparum importin beta, putative 0.0035 0.0266 0.9597
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0277 0.0277
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6521 0.6521
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0675 0.0675
Leishmania major hypothetical protein, conserved 0.003 0.0139 0.0208
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0301 0.0301
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7525 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.016 0.389 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0277 0.9192
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0301 0.0301
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0266 0.0398
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0491 0.0491
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.6682 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0266 0.0407
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0114 0.0152
Plasmodium vivax SET domain protein, putative 0.0036 0.0301 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0491 0.0491
Schistosoma mansoni hypothetical protein 0.0035 0.0277 0.0277
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0301 0.1063
Brugia malayi Pre-SET motif family protein 0.0251 0.6521 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0675 0.0675
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2591 0.2591
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.6682 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0266 0.0266
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.2833 0.2833
Schistosoma mansoni hypothetical protein 0.0205 0.5172 0.5172
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1906 0.1906
Brugia malayi PHD-finger family protein 0.0035 0.0277 0.0424
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0277 0.0977
Entamoeba histolytica hypothetical protein 0.0028 0.0075 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.33463 uM PubChem BioAssay. FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 1.004 uM PubChem BioAssay. Epi-absorbance-based dose response biochemical high throughput screening assay for selective inhibitors of VIM-2 metallo-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 59.64 uM PubChem BioAssay. Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of TEM-1 serine-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 59.64 uM PubChem BioAssay. FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 59.64 uM PubChem BioAssay. Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.015 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1778 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5012 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 5.6234 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) 5.8048 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 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) 21.3313 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) = 25.1189 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) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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