Detailed information for compound 1415696

Basic information

Technical information
  • TDR Targets ID: 1415696
  • Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(phenylm ethyl)imidazole
  • MW: 314.832 | Formula: C17H15ClN2S
  • H donors: 0 H acceptors: 1 LogP: 4.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CSc1nccn1Cc1ccccc1
  • InChi: 1S/C17H15ClN2S/c18-16-8-6-15(7-9-16)13-21-17-19-10-11-20(17)12-14-4-2-1-3-5-14/h1-11H,12-13H2
  • InChiKey: DXFQOZHIWCKOFB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-chlorophenyl)methylthio]-1-(phenylmethyl)imidazole
  • 1-(benzyl)-2-[(4-chlorobenzyl)thio]imidazole
  • SMR000184731
  • ZINC00286897
  • 1-benzyl-2-[(4-chlorobenzyl)thio]-1H-imidazole
  • MLS000575481

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
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
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi 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
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 donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
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
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cpg binding protein 0.0037 0.0159 0.0169
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0149 0.0281
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0395 0.2633 0.2583
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0235 0.0544
Brugia malayi Doublecortin family protein 0.0048 0.0235 0.0177
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0243 0.4135
Plasmodium falciparum phd finger protein, putative 0.0035 0.0149 0.2529
Echinococcus multilocularis cpg binding protein 0.0037 0.0159 0.0312
Echinococcus granulosus GPCR family 2 0.0463 0.31 0.9345
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0287 0.023
Loa Loa (eye worm) hypothetical protein 0.1 0.6806 0.6785
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0244 0.0573
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0197 0.0806
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0099 0.0589 0.1632
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0099 0.0589 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0463 0.31 0.9345
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0149 0.0082
Brugia malayi TAR-binding protein 0.0395 0.2633 0.2589
Echinococcus granulosus Polycystic kidney disease protein 0.0048 0.0235 0.0544
Giardia lamblia PHD finger protein 15 0.0035 0.0149 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0287 0.0705
Echinococcus multilocularis tar DNA binding protein 0.0395 0.2633 0.791
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0463 0.31 0.3059
Loa Loa (eye worm) hypothetical protein 0.0048 0.0235 0.0168
Echinococcus multilocularis RUN 0.0048 0.0235 0.0544
Brugia malayi isocitrate dehydrogenase 0.0099 0.0589 0.0533
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0538 0.0729
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0149 0.2529
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.011 0.0265
Brugia malayi Bromodomain containing protein 0.0035 0.0149 0.0091
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0413 0.0545
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.011 1
Entamoeba histolytica hypothetical protein 0.0043 0.0206 1
Loa Loa (eye worm) hypothetical protein 0.1463 1 1
Schistosoma mansoni lipoxygenase 0.0209 0.1348 0.1928
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0149 0.0154
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.011 0.0265
Schistosoma mansoni hypothetical protein 0.0463 0.31 0.4518
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0145 0.0078
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.011 0.0265
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0589 0.3237
Entamoeba histolytica hypothetical protein 0.0043 0.0206 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0287 0.0358
Brugia malayi Isocitrate dehydrogenase 0.0099 0.0589 0.0533
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0244 0.0573
Schistosoma mansoni tar DNA-binding protein 0.0395 0.2633 0.3828
Entamoeba histolytica hypothetical protein 0.0043 0.0206 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0214 0.0147
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0197 0.11
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0206 0.0456
Schistosoma mansoni tar DNA-binding protein 0.0395 0.2633 0.3828
Schistosoma mansoni hypothetical protein 0.0463 0.31 0.4518
Schistosoma mansoni hypothetical protein 0.1 0.6806 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0206 0.0238
Echinococcus granulosus tar DNA binding protein 0.0395 0.2633 0.791
Brugia malayi PHD-finger family protein 0.0035 0.0149 0.0091
Schistosoma mansoni hypothetical protein 0.0463 0.31 0.4518
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0209 0.1348 0.3965
Schistosoma mansoni rab6-interacting 0.0048 0.0235 0.0281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0287 0.0358
Echinococcus multilocularis transcription factor btf3 0.0042 0.0197 0.043
Brugia malayi beta-NAC-like protein 0.0042 0.0197 0.014
Echinococcus granulosus transcription factor btf3 0.0042 0.0197 0.043
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0099 0.0589 0.3237
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0099 0.0589 0.1632
Loa Loa (eye worm) hypothetical protein 0.006 0.0322 0.0257
Schistosoma mansoni rab6-interacting 0.0048 0.0235 0.0281
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0235 0.0544
Brugia malayi hypothetical protein 0.0032 0.0124 0.0066
Schistosoma mansoni cpg binding protein 0.0037 0.0159 0.0169
Brugia malayi hypothetical protein 0.0048 0.0235 0.0177
Loa Loa (eye worm) TAR-binding protein 0.0395 0.2633 0.2583
Mycobacterium ulcerans hypothetical protein 0.003 0.011 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0359 0.4782
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0243 0.215
Plasmodium falciparum LCCL domain-containing protein 0.0048 0.0235 0.3983
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.011 0.0162
Brugia malayi RNA recognition motif domain containing protein 0.0395 0.2633 0.2589
Echinococcus granulosus RUN 0.0048 0.0235 0.0544
Brugia malayi Calcitonin receptor-like protein seb-1 0.1463 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.0206 0.0238
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0463 0.31 0.9345
Leishmania major hypothetical protein, conserved 0.0257 0.1678 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0589 0.3237
Brugia malayi hypothetical protein 0.0048 0.0235 0.0177
Schistosoma mansoni transcription factor btf3 0.0042 0.0197 0.0225
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0214 0.048
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0197 0.3351
Schistosoma mansoni loxhd1 0.0048 0.0235 0.0281
Brugia malayi jmjC domain containing protein 0.0045 0.0214 0.0156
Plasmodium vivax multidomain scavenger receptor, putative 0.0048 0.0235 0.3983
Schistosoma mansoni tar DNA-binding protein 0.0395 0.2633 0.3828
Entamoeba histolytica hypothetical protein 0.0043 0.0206 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0149 0.0082
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.011 1
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.1678 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0463 0.31 0.3053
Brugia malayi Latrophilin receptor protein 2 0.0463 0.31 0.3059
Echinococcus multilocularis peregrin 0.0035 0.0149 0.0281
Leishmania major hypothetical protein, conserved 0.0049 0.0243 0.1093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0287 0.0705
Brugia malayi jmjC domain containing protein 0.0115 0.0701 0.0647
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0589 0.1632
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0197 0.3351
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0197 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0235 0.0544
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0463 0.31 0.9345
Brugia malayi Cytochrome P450 family protein 0.0023 0.0067 0.0009
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0197 0.0806
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1463 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0099 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0243 0.0177
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0099 0.0589 0.3237
Echinococcus granulosus cpg binding protein 0.0037 0.0159 0.0312
Echinococcus granulosus peregrin 0.0035 0.0149 0.0281
Loa Loa (eye worm) isocitrate dehydrogenase 0.0099 0.0589 0.0525
Loa Loa (eye worm) hypothetical protein 0.0463 0.31 0.3053
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3313 1
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.1678 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0099 0.0589 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0407 0.0342
Schistosoma mansoni hypothetical protein 0.0022 0.0057 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0287 0.0705
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3313 1
Echinococcus multilocularis GPCR, family 2 0.0463 0.31 0.9345
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0214 0.025
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0243 0.1093
Schistosoma mansoni hypothetical protein 0.0048 0.0235 0.0281
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0463 0.31 0.9345
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0197 0.0131
Brugia malayi CXXC zinc finger family protein 0.0035 0.0145 0.0087
Schistosoma mansoni cpg binding protein 0.0035 0.0145 0.0149
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0099 0.0589 0.0805
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0214 0.025
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0701 0.1978
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0149 0.0281
Brugia malayi RNA binding protein 0.0395 0.2633 0.2589
Loa Loa (eye worm) RNA binding protein 0.0395 0.2633 0.2583
Brugia malayi Cytochrome P450 family protein 0.0023 0.0067 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0197 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0243 0.4135
Schistosoma mansoni hypothetical protein 0.0494 0.3313 0.4834
Brugia malayi hypothetical protein 0.0043 0.0206 0.0148
Schistosoma mansoni hypothetical protein 0.0035 0.0149 0.0154
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0153 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0395 0.2633 0.3828
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0589 0.1632
Schistosoma mansoni hypothetical protein 0.0463 0.31 0.4518
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0701 0.1978
Brugia malayi latrophilin 2 splice variant baaae 0.1 0.6806 0.6787
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0243 0.1093
Onchocerca volvulus 0.0048 0.0235 1
Brugia malayi hypothetical protein 0.0049 0.0243 0.0186
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0287 0.0221
Schistosoma mansoni lipoxygenase 0.0123 0.0757 0.1053
Toxoplasma gondii isocitrate dehydrogenase 0.0099 0.0589 1
Onchocerca volvulus 0.0048 0.0235 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0209 0.1348 0.3965
Toxoplasma gondii isocitrate dehydrogenase 0.0099 0.0589 1
Brugia malayi Cytochrome P450 family protein 0.0036 0.0153 0.0095
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0243 0.4135
Echinococcus multilocularis Polycystic kidney disease protein 0.0048 0.0235 0.0544
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0589 0.3237
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0589 0.1632
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.011 0.0162
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.1678 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0206 0.0456
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0197 0.0806
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0287 0.0358
Loa Loa (eye worm) doublecortin family protein 0.0048 0.0235 0.0168
Schistosoma mansoni tar DNA-binding protein 0.0395 0.2633 0.3828
Onchocerca volvulus Alhambra homolog 0.0035 0.0149 0.0406
Schistosoma mansoni polycystin 1-related 0.0048 0.0235 0.0281
Echinococcus multilocularis isocitrate dehydrogenase 0.0099 0.0589 0.1632
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0243 0.1093
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.011 1
Mycobacterium ulcerans hypothetical protein 0.003 0.011 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.02 0.0438
Loa Loa (eye worm) hypothetical protein 0.0048 0.0235 0.0168
Leishmania major basic transcription factor 3a, putative 0.0042 0.0197 0.0806
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0197 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0287 0.0705
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0235 0.0544

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 0.223872114 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.079457844 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 22.38721139 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 25.11886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
EC50 (functional) = 17.992 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 24.248 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.0026 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) 1.0418 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) 1.5849 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 3.1623 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) 6.3096 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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