Detailed information for compound 1317068

Basic information

Technical information
  • TDR Targets ID: 1317068
  • Name: 1-[4-(3,4-dichlorophenyl)sulfanylpyridin-3-yl ]sulfonyl-3-propylurea
  • MW: 420.334 | Formula: C15H15Cl2N3O3S2
  • H donors: 2 H acceptors: 4 LogP: 3.65 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)NS(=O)(=O)c1cnccc1Sc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C15H15Cl2N3O3S2/c1-2-6-19-15(21)20-25(22,23)14-9-18-7-5-13(14)24-10-3-4-11(16)12(17)8-10/h3-5,7-9H,2,6H2,1H3,(H2,19,20,21)
  • InChiKey: GGSAANBFYTYUOT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[4-(3,4-dichlorophenyl)sulfanyl-3-pyridyl]sulfonyl]-3-propyl-urea
  • 1-[[4-[(3,4-dichlorophenyl)thio]-3-pyridyl]sulfonyl]-3-propylurea
  • 1-[[4-[(3,4-dichlorophenyl)thio]-3-pyridyl]sulfonyl]-3-propyl-urea
  • 1-[4-(3,4-dichlorophenyl)sulfanylpyridin-3-yl]sulfonyl-3-propyl-urea
  • MLS000539686
  • SMR000162110
  • AJ-333/25006003
  • 4-[(3,4-dichlorophenyl)sulfanyl]-3-({[(propylamino)carbonyl]amino}sulfonyl)pyridine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B 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
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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 mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Schistosoma mansoni multidrug resistance protein 0.0119 0.2981 0.2951
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0119 0.2981 0.1779
Schistosoma mansoni smdr1 0.0107 0.2591 0.2559
Giardia lamblia Multidrug resistance-associated protein 1 0.0116 0.2868 0.7753
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0332 0.9448 1
Entamoeba histolytica P-glycoprotein-2 0.0332 0.9448 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0332 0.9448 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0332 0.9448 1
Echinococcus granulosus multidrug resistance protein 1 0.0229 0.6321 0.6675
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.282 0.2985
Loa Loa (eye worm) hypothetical protein 0.0119 0.2981 0.3155
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1103 0.1065
Schistosoma mansoni bromodomain containing protein 0.0076 0.1675 0.1639
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0332 0.9448 1
Trichomonas vaginalis ABC transporter, putative 0.0332 0.9448 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0332 0.9448 1
Loa Loa (eye worm) ABC transporter 0.0107 0.2591 0.2743
Entamoeba histolytica P-glycoprotein 6, putative 0.0107 0.2591 0.0162
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0107 0.2591 0.1284
Loa Loa (eye worm) multidrug resistance protein 3 0.0332 0.9448 1
Entamoeba histolytica P-glyco protein 6, putative 0.0332 0.9448 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.1345 0.1424
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1345 0.1385
Trichomonas vaginalis abcb9, putative 0.0332 0.9448 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1345 0.1385
Echinococcus multilocularis ATP binding cassette sub family B 0.0107 0.2591 0.271
Echinococcus multilocularis ATP binding cassette sub family B 0.0107 0.2591 0.271
Schistosoma mansoni voltage-gated potassium channel 0.01 0.2388 0.2355
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0332 0.9448 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.536 0.5673
Loa Loa (eye worm) MBCTL1 0.0066 0.1345 0.1424
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1345 0.1385
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1103 0.1065
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0092 0.2147 0.2237
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0332 0.9448 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1103 0.1127
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.282 0.2953
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0092 0.2147 0.2237
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0332 0.9448 1
Echinococcus multilocularis voltage gated potassium channel 0.0031 0.0284 0.0256
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.282 0.2953
Echinococcus granulosus multidrug resistance protein 1 0.0332 0.9448 1
Schistosoma mansoni zinc finger protein 0.0024 0.007 0.0027
Schistosoma mansoni multidrug resistance protein 0.0332 0.9448 0.9446
Entamoeba histolytica hypothetical protein 0.0119 0.2981 0.0721
Echinococcus multilocularis ATP binding cassette sub family B 0.0328 0.9335 0.988
Trypanosoma brucei p-glycoprotein 0.0119 0.2981 1
Echinococcus granulosus sodium channel protein 0.0093 0.2192 0.2285
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0093 0.2192 0.2285
Trichomonas vaginalis abcb9, putative 0.0332 0.9448 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0119 0.2981 1
Brugia malayi hypothetical protein 0.0107 0.2591 0.271
Brugia malayi ABC transporter transmembrane region family protein 0.0119 0.2981 0.3124
Loa Loa (eye worm) hypothetical protein 0.0119 0.2981 0.3155
Leishmania major pentamidine resistance protein 1 0.0119 0.2981 0.1779
Schistosoma mansoni multidrug resistance protein 0.0103 0.2478 0.2446
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0119 0.2981 0.1779
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0332 0.9448 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0107 0.2591 0.1284
Entamoeba histolytica P-glycoprotein 6, putative 0.0107 0.2591 0.0162
Brugia malayi Bromodomain containing protein 0.0091 0.2105 0.2193
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0092 0.2147 0.2237
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0107 0.2591 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0119 0.2981 0.0721
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1581 0.1545
Trypanosoma brucei multidrug resistance protein E 0.0119 0.2981 1
Schistosoma mansoni multidrug resistance protein 0.0332 0.9448 0.9446
Brugia malayi mbt repeat family protein 0.0058 0.1103 0.1127
Loa Loa (eye worm) hypothetical protein 0.0107 0.2591 0.2743
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0119 0.2981 0.3155
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.6254 0.6604
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0332 0.9448 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0332 0.9448 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0332 0.9448 1
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1103 0.1127
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0332 0.9448 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0671 0.0668
Loa Loa (eye worm) hypothetical protein 0.0081 0.18 0.1906
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0332 0.9448 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0332 0.9448 1
Echinococcus multilocularis sodium channel protein 0.0093 0.2192 0.2285
Brugia malayi ABC transporter family protein 0.0107 0.2591 0.271
Echinococcus multilocularis zinc finger protein 0.0024 0.007 0.0029
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0119 0.2981 0.1779
Brugia malayi ABC transporter family protein 0.0107 0.2591 0.271
Echinococcus multilocularis ATP binding cassette sub family B 0.0107 0.2591 0.271
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0332 0.9448 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0119 0.2981 0.3124
Giardia lamblia Multidrug resistance-associated protein 1 0.0119 0.2981 1
Loa Loa (eye worm) hypothetical protein 0.0328 0.9335 0.988
Echinococcus granulosus multidrug resistance protein 1 0.0229 0.6321 0.6675
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0332 0.9448 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0031 0.0284 0.0256
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0332 0.9448 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.282 0.2953
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0119 0.2981 1
Schistosoma mansoni multidrug resistance protein 0.0119 0.2981 0.2951
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0107 0.2591 0.1284
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.282 0.2953
Brugia malayi multidrug resistance protein 3 0.0332 0.9448 1
Schistosoma mansoni multidrug resistance protein 0.0119 0.2981 0.2951
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0107 0.2591 0.271
Echinococcus granulosus voltage gated potassium channel 0.0031 0.0284 0.0256
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0332 0.9448 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1345 0.1385
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0179 0.0145
Loa Loa (eye worm) hypothetical protein 0.0103 0.2478 0.2623
Trypanosoma brucei polo-like protein kinase 0.0114 0.282 0.5874
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0103 0.2478 0.2589
Schistosoma mansoni multidrug resistance protein 0.0119 0.2981 0.2951
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0332 0.9448 1
Brugia malayi ABC transporter transmembrane region family protein 0.0103 0.2478 0.2589
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0328 0.9335 0.988
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0332 0.9448 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0332 0.9448 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0107 0.2591 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0093 0.2192 0.0776
Echinococcus granulosus zinc finger protein 0.0024 0.007 0.0029
Loa Loa (eye worm) hypothetical protein 0.0031 0.0284 0.03
Echinococcus granulosus multidrug resistance protein 1 0.0332 0.9448 1
Brugia malayi multidrug resistance related protein 1 0.0119 0.2981 0.3124
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0332 0.9448 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0332 0.9448 1
Brugia malayi ABC transporter 0.0103 0.2478 0.2589
Echinococcus granulosus multidrug resistance associated protein 7 0.0119 0.2981 0.3124
Loa Loa (eye worm) hypothetical protein 0.0052 0.0917 0.0971
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0107 0.2591 0.5
Echinococcus granulosus ATP binding cassette sub family B 0.0107 0.2591 0.271
Loa Loa (eye worm) hypothetical protein 0.0198 0.536 0.5673
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1345 0.1308
Entamoeba histolytica ATP-binding cassette protein, putative 0.0119 0.2981 0.0721
Schistosoma mansoni multidrug resistance protein 0.0332 0.9448 0.9446
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0043 0.0045
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0332 0.9448 1
Echinococcus multilocularis multidrug resistance protein 1 0.0332 0.9448 1
Trichomonas vaginalis ABC transporter, putative 0.0332 0.9448 1
Schistosoma mansoni voltage-gated potassium channel 0.01 0.2388 0.2355
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0119 0.2981 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0107 0.2591 0.271
Schistosoma mansoni kinase 0.0058 0.1114 0.1076
Echinococcus granulosus multidrug resistance protein 1 0.0332 0.9448 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0332 0.9448 1
Loa Loa (eye worm) ABC transporter 0.0107 0.2591 0.2743
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0107 0.2591 0.2559
Entamoeba histolytica P-glycoprotein-2 0.0332 0.9448 1
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1103 0.1127
Schistosoma mansoni hypothetical protein 0.0025 0.0109 0.0066
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0107 0.2591 0.1284
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0229 0.6321 0.6675
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0081 0.1802 0.187
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0107 0.2591 0.1284
Echinococcus multilocularis multidrug resistance associated protein 1 0.0119 0.2981 0.3124
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0107 0.2591 0.1284
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0031 0.0284 0.0256
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.282 0.2953
Brugia malayi ABC transporter transmembrane region family protein 0.0107 0.2591 0.271
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0332 0.9448 1
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0103 0.2478 0.2446
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.282 0.2953
Plasmodium vivax multidrug resistance protein 1, putative 0.0332 0.9448 1
Brugia malayi ABC transporter family protein 0.0332 0.9448 1
Leishmania major ABC-thiol transporter 0.0119 0.2981 0.1779
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0119 0.2981 0.1779
Onchocerca volvulus 0.0332 0.9448 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0847 0.0897
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0107 0.2591 0.1284
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1581 0.1636
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0332 0.9448 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0092 0.2147 0.2272
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.282 0.2953
Loa Loa (eye worm) hypothetical protein 0.0332 0.9448 1
Brugia malayi ABC transporter 0.0107 0.2591 0.271
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0107 0.2591 0.1284
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.282 0.2789
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1581 0.1636
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1103 0.1167
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0332 0.9448 1
Echinococcus multilocularis multidrug resistance protein 1 0.0229 0.6321 0.6675
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0332 0.9448 1
Trichomonas vaginalis abcb9, putative 0.0332 0.9448 1
Brugia malayi Bromodomain containing protein 0.0046 0.0758 0.076
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0179 0.0145
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.282 0.2953
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0109 0.0115
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0332 0.9448 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0332 0.9448 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.282 0.1575
Entamoeba histolytica ABC transporter, putative 0.0119 0.2981 0.0721
Echinococcus multilocularis multidrug resistance associated protein 7 0.0119 0.2981 0.3124
Giardia lamblia Kinase, PLK 0.0114 0.282 0.6801
Entamoeba histolytica multidrug resistance protein, putative 0.0119 0.2981 0.0721
Toxoplasma gondii hypothetical protein 0.0198 0.536 0.4803
Brugia malayi P-glycoprotein-like protein 0.0107 0.2591 0.271
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0103 0.2478 0.2589
Loa Loa (eye worm) hypothetical protein 0.0046 0.076 0.0805
Loa Loa (eye worm) hypothetical protein 0.0023 0.0043 0.0045
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1068 0.109
Loa Loa (eye worm) hypothetical protein 0.0058 0.1103 0.1167
Entamoeba histolytica ATP-binding cassette protein, putative 0.0119 0.2981 0.0721
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.282 0.0491
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.282 0.2058
Entamoeba histolytica P-glycoprotein-5 0.0332 0.9448 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0107 0.2591 0.271
Loa Loa (eye worm) hypothetical protein 0.0198 0.536 0.5673
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1103 0.1065
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0332 0.9448 1
Echinococcus granulosus ATP binding cassette sub family B 0.0103 0.2478 0.2589
Giardia lamblia ABC transporter, putative 0.0119 0.2981 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.282 0.5874
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0107 0.2591 0.1284
Echinococcus multilocularis multidrug resistance protein 1 0.0332 0.9448 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0119 0.2981 0.1779
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0031 0.0284 0.0256
Trichomonas vaginalis ABC transporter, putative 0.0332 0.9448 1
Giardia lamblia MRP-like ABC transporter 0.0119 0.2981 1
Brugia malayi PHD-finger family protein 0.003 0.0266 0.0237
Schistosoma mansoni smdr2 0.0332 0.9448 0.9446
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0284 0.0242
Loa Loa (eye worm) ABC transporter 0.0107 0.2591 0.2743
Schistosoma mansoni multidrug resistance protein 0.0107 0.2591 0.2559
Loa Loa (eye worm) hypothetical protein 0.0085 0.1948 0.2062
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.2478 0.2589
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.282 0.2953
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0107 0.2591 0.1284
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0107 0.2591 0.5
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0107 0.2591 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0103 0.2478 0.2589
Echinococcus multilocularis 0.0107 0.2591 0.271
Giardia lamblia Multidrug resistance-associated protein 1 0.0119 0.2981 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1544 0.1596
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0332 0.9448 0.5
Echinococcus granulosus ATP binding cassette sub family B 0.0107 0.2591 0.271
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.282 0.5874
Entamoeba histolytica P-glycoprotein-1 0.0332 0.9448 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0332 0.9448 1
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0284 0.0242
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0332 0.9448 1
Trichomonas vaginalis ABC transporter, putative 0.0332 0.9448 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0107 0.2591 0.1284
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1345 0.1385
Leishmania major p-glycoprotein 0.0332 0.9448 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0119 0.2981 1
Plasmodium falciparum multidrug resistance protein 1 0.0332 0.9448 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0107 0.2591 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1544 0.1596
Loa Loa (eye worm) hypothetical protein 0.0332 0.9448 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0081 0.1802 0.187
Brugia malayi mbt repeat family protein 0.0058 0.1103 0.1127
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0107 0.2591 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0119 0.2981 0.0721
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0043 0.0045
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0198 0.536 0.5673
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0332 0.9448 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0332 0.9448 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0671 0.0668
Trichomonas vaginalis taga, putative 0.0332 0.9448 1
Toxoplasma gondii ABC transporter, putative 0.0107 0.2591 0.1284
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0179 0.0137
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.6254 0.6604
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0107 0.2591 0.5
Leishmania major p-glycoprotein e 0.0119 0.2981 0.1779
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.282 0.2953
Brugia malayi ABC transporter family protein 0.0107 0.2591 0.271
Loa Loa (eye worm) hypothetical protein 0.0116 0.2868 0.3035
Toxoplasma gondii ABC transporter family protein 0.0107 0.2591 0.1284
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0332 0.9448 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0119 0.2981 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1103 0.1127
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0107 0.2591 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1581 0.1545
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1068 0.109

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0828 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) = 0.0891 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 3.1623 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) 11.9173 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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