Detailed information for compound 985247

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.429 | Formula: C21H15N3S
  • H donors: 1 H acceptors: 2 LogP: 4.99 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1c(c2ccccc2)c(c2ccccc2)c(c(c1C#N)N)C#N
  • InChi: 1S/C21H15N3S/c1-25-21-17(13-23)20(24)16(12-22)18(14-8-4-2-5-9-14)19(21)15-10-6-3-7-11-15/h2-11H,24H2,1H3
  • InChiKey: OMGCYEZTSFCXAC-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis tubulin epsilon chain, putative 0.0017 0.007 0.2524
Brugia malayi TAR-binding protein 0.0062 0.0438 0.0604
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0069 0.5677
Schistosoma mansoni multidrug resistance protein 0.0011 0.0019 0.0134
Echinococcus multilocularis multidrug resistance protein 1 0.0011 0.0019 0.0023
Loa Loa (eye worm) hypothetical protein 0.0041 0.0265 0.1884
Schistosoma mansoni tyrosine kinase 0.0079 0.0578 0.4103
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0117 0.1588
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0019 0.0575
Schistosoma mansoni multidrug resistance protein 0.0011 0.0019 0.0134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0296 0.2098
Echinococcus granulosus tubulin alpha chain 0.0017 0.007 0.0581
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0019 0.0575
Loa Loa (eye worm) tubulin alpha 2 0.0013 0.0037 0.0259
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0296 0.2098
Schistosoma mansoni hypothetical protein 0.0033 0.0202 0.1431
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0716 0.627
Trypanosoma cruzi ABC transporter, putative 0.001 0.0013 0.0034
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0019 0.0132
Echinococcus multilocularis tubulin subunit TubB 0.0017 0.007 0.0103
Entamoeba histolytica P-glycoprotein-2 0.0011 0.0019 0.0211
Echinococcus granulosus tubulin alpha chain 0.0017 0.007 0.0581
Echinococcus multilocularis Tubulin alpha 1 chain 0.0017 0.007 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0074
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0117 1
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Loa Loa (eye worm) hypothetical protein 0.0179 0.1409 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0179 0.1409 1
Plasmodium vivax tubulin alpha chain, putative 0.0017 0.007 0.0247
Trypanosoma brucei alpha tubulin 0.0017 0.007 0.0247
Loa Loa (eye worm) alpha-tubulin 0.0017 0.007 0.0496
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Plasmodium falciparum multidrug resistance protein 1 0.0011 0.0019 0.0056
Schistosoma mansoni multidrug resistance protein 0.0011 0.0019 0.0134
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0332 0.2678 1
Giardia lamblia Telomerase catalytic subunit 0.0332 0.2678 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0013 0.0037 0.1247
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0117 1
Brugia malayi Common central domain of tyrosinase family protein 0.0179 0.1409 0.1944
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0215 0.1861
Echinococcus multilocularis nibrin 0.001 0.0006 0.0003
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0019 0.0575
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0079 0.0578 0.5059
Loa Loa (eye worm) hypothetical protein 0.0179 0.1409 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0011 0.0019 0.0056
Brugia malayi CHE-14 protein 0.0041 0.0265 0.0366
Loa Loa (eye worm) hypothetical protein 0.0095 0.0716 0.5078
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0117 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0017 0.007 0.2524
Trichomonas vaginalis abcb9, putative 0.0011 0.0019 0.0575
Echinococcus granulosus tubulin alpha chain 0.0017 0.007 0.0581
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0117 0.0422
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0019 0.0132
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0438 0.0604
Schistosoma mansoni tyrosinase precursor 0.0179 0.1409 1
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Brugia malayi hypothetical protein 0.001 0.0006 0.0008
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0006 0.0074
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0006 0.0007
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0054 0.0078
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0489
Echinococcus multilocularis epidermal growth factor receptor 0.0146 0.1139 0.1769
Echinococcus multilocularis insulin receptor 0.0047 0.0314 0.0484
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0019 0.0575
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0265 0.2304
Plasmodium vivax multidrug resistance protein 1, putative 0.0011 0.0019 0.0056
Schistosoma mansoni tubulin subunit epsilon 0.0009 0.0004 0.0028
Echinococcus granulosus replication factor c subunit 1 0.001 0.0006 0.0017
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0.007 0.2524
Trichomonas vaginalis ABC transporter, putative 0.0011 0.0019 0.0575
Echinococcus granulosus tar DNA binding protein 0.0062 0.0438 0.382
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0117 0.1588
Onchocerca volvulus 0.0179 0.1409 0.1404
Schistosoma mansoni tubulin subunit alpha 0.0017 0.007 0.0496
Entamoeba histolytica P-glycoprotein-2 0.0011 0.0019 0.0211
Trypanosoma cruzi ATP-binding cassette protein, putative 0.001 0.0013 0.0034
Brugia malayi Tubulin beta-1 chain 0.0009 0.0004 0.0005
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.0019 0.0132
Treponema pallidum DNA ligase (lig) 0.001 0.0006 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0054 0.0075
Loa Loa (eye worm) tubulin beta-4 chain 0.0009 0.0004 0.0028
Schistosoma mansoni tyrosine kinase 0.0146 0.1139 0.8083
Schistosoma mansoni DNA ligase IV 0.001 0.0006 0.0042
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0.0013 0.0636
Echinococcus multilocularis GPCR, family 2 0.0015 0.0054 0.0078
Loa Loa (eye worm) tubulin alpha-2 chain 0.0017 0.007 0.0496
Schistosoma mansoni hypothetical protein 0.0039 0.0253 0.1797
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0006 0.0007
Schistosoma mansoni alpha tubulin 0.0017 0.007 0.0496
Loa Loa (eye worm) hypothetical protein 0.0023 0.0117 0.083
Entamoeba histolytica hypothetical protein 0.001 0.0006 0.0027
Brugia malayi hypothetical protein 0.001 0.0006 0.0008
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0011 0.0017 0.0115
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0019 0.0575
Loa Loa (eye worm) hypothetical protein 0.0023 0.0117 0.083
Echinococcus granulosus epidermal growth factor receptor 0.0079 0.0578 0.5059
Schistosoma mansoni alpha tubulin 0.0017 0.007 0.0496
Loa Loa (eye worm) TK/INSR protein kinase 0.0047 0.0314 0.223
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0202 0.0278
Loa Loa (eye worm) beta-tubulin 0.0009 0.0004 0.0028
Brugia malayi hypothetical protein 0.0035 0.0215 0.0297
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.0019 0.0132
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0006 0.0074
Brugia malayi multidrug resistance protein 3 0.0011 0.0019 0.0026
Schistosoma mansoni tubulin subunit alpha 0.0017 0.007 0.0496
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0013 0.0037 0.0259
Schistosoma mansoni tubulin subunit beta 0.0009 0.0004 0.0028
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0019 0.0575
Trichomonas vaginalis taga, putative 0.0011 0.0019 0.0575
Echinococcus multilocularis epidermal growth factor receptor 0.0079 0.0578 0.0895
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0019 0.0023
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0011 0.0019 0.2077
Entamoeba histolytica P-glycoprotein-5 0.0011 0.0019 0.0211
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Schistosoma mansoni smdr2 0.0011 0.0019 0.0134
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0042
Schistosoma mansoni hypothetical protein 0.0015 0.0054 0.0384
Loa Loa (eye worm) BEN-1 protein 0.0009 0.0004 0.0028
Brugia malayi tubulin alpha chain - mouse 0.0017 0.007 0.0096
Loa Loa (eye worm) hypothetical protein 0.0013 0.0037 0.0259
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.1054 0.9251
Trichomonas vaginalis ABC transporter, putative 0.0011 0.0019 0.0575
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0074
Echinococcus granulosus nibrin 0.001 0.0006 0.0017
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0006 0.0007
Leishmania major telomerase reverse transcriptase, putative 0.0332 0.2678 1
Echinococcus granulosus ATP binding cassette sub family G 0.001 0.0013 0.0079
Giardia lamblia ABC transporter 0.001 0.0011 0.0026
Schistosoma mansoni hypothetical protein 0.0035 0.0215 0.1527
Echinococcus granulosus Tubulin alpha 1 chain 0.0017 0.007 0.0581
Loa Loa (eye worm) tubulin beta-2A chain 0.0009 0.0004 0.0028
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0019 0.0575
Echinococcus granulosus expressed conserved protein 0.0089 0.0668 0.5848
Loa Loa (eye worm) hypothetical protein 0.0033 0.0202 0.1431
Brugia malayi RNA binding protein 0.0062 0.0438 0.0604
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0179 0.1409 0.1944
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0265 1
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0006 0.0008
Loa Loa (eye worm) BEN-1 protein 0.0009 0.0004 0.0028
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0117 1
Echinococcus multilocularis multidrug resistance protein 1 0.0011 0.0019 0.0023
Schistosoma mansoni hypothetical protein 0.0015 0.0054 0.0384
Onchocerca volvulus 0.0179 0.1409 0.1404
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0019 0.0023
Echinococcus multilocularis ATP binding cassette sub family G 0.001 0.0013 0.0014
Echinococcus multilocularis hypothetical protein 0.0017 0.007 0.0103
Echinococcus granulosus tubulin alpha 3 chain 0.0017 0.007 0.0581
Onchocerca volvulus 0.0179 0.1409 0.1404
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0019 0.0575
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.001 0.0013 0.0034
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0006 0.0003
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0019 0.0575
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0.0013 0.0636
Brugia malayi Tubulin gamma chain 0.0009 0.0004 0.0005
Giardia lamblia Alpha-tubulin 0.0017 0.007 0.0247
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0006 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0074
Echinococcus granulosus tubulin alpha chain 0.0017 0.007 0.0581
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0006 0.0007
Plasmodium vivax tubulin alpha chain, putative 0.0017 0.007 0.0247
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0329 0.0454
Loa Loa (eye worm) tubulin beta-1 chain 0.0009 0.0004 0.0028
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0006 0.0027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0296 0.257
Schistosoma mansoni tubulin subunit gamma 0.0009 0.0004 0.0028
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0006 0.0042
Echinococcus multilocularis ATP binding cassette sub family G 0.001 0.0013 0.0014
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0117 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0017 0.007 0.0103
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0.007 0.2524
Echinococcus multilocularis tubulin alpha 1C chain 0.0017 0.007 0.0103
Leishmania major p-glycoprotein 0.0011 0.0019 0.0056
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0019 0.0575
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0011 0.0019 0.0134
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Trypanosoma cruzi alpha tubulin, putative 0.0017 0.007 0.0247
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0042
Schistosoma mansoni tubulin subunit beta 0.0009 0.0004 0.0028
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0017 0.007 0.2524
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0489
Entamoeba histolytica P-glyco protein 6, putative 0.0011 0.0019 0.0211
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.001 0.0013 0.0034
Mycobacterium ulcerans hypothetical protein 0.0023 0.0117 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0296 0.2098
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0117 1
Trypanosoma brucei alpha tubulin 0.0017 0.007 0.0247
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0489
Brugia malayi ShTK domain containing protein 0.0179 0.1409 0.1944
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0006 0.0007
Schistosoma mansoni tubulin subunit beta 0.0009 0.0004 0.0028
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0117 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0179 0.1409 0.1944
Echinococcus multilocularis tubulin alpha chain 0.0017 0.007 0.0103
Echinococcus multilocularis tubulin alpha chain 0.0017 0.007 0.0103
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0006 0.0007
Echinococcus granulosus Tubulin alpha 1 chain 0.0017 0.007 0.0581
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0296 0.0408
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0438 0.3105
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0069 0.0243
Giardia lamblia Replication factor C, subunit 1 0.001 0.0006 0.0007
Entamoeba histolytica P-glycoprotein-1 0.0011 0.0019 0.0211
Brugia malayi Furin-like cysteine rich region family protein 0.0146 0.1139 0.1571
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0069 1
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0.007 0.2524
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0054 0.0078
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0019 0.0575
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0783 0.6422 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0074
Plasmodium vivax ABC transporter G family member 2, putative 0.001 0.0013 0.0034
Echinococcus granulosus alpha tubulin 0.0017 0.007 0.0581
Schistosoma mansoni tyrosine kinase 0.0047 0.0314 0.223
Brugia malayi Telomerase reverse transcriptase 0.0883 0.7249 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0296 0.0455
Loa Loa (eye worm) alpha-tubulin 0.0017 0.007 0.0496
Loa Loa (eye worm) tubulin alpha-3 chain 0.0012 0.0026 0.0187
Plasmodium falciparum ABC transporter G family member 2 0.001 0.0013 0.0034
Echinococcus multilocularis ATP binding cassette sub family B 0.0011 0.0017 0.002
Echinococcus granulosus GPCR family 2 0.0015 0.0054 0.0442
Echinococcus multilocularis tubulin alpha chain 0.0017 0.007 0.0103
Echinococcus multilocularis Tubulin alpha 1 chain 0.0017 0.007 0.0103
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0006 0.0074
Entamoeba histolytica tubulin alpha-1 chain 0.0017 0.007 0.0927
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0117 1
Loa Loa (eye worm) tubulin gamma chain 0.0009 0.0004 0.0028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0019 0.0134
Schistosoma mansoni tubulin subunit beta 0.0009 0.0004 0.0028
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0011 0.0019 0.0056
Plasmodium falciparum alpha tubulin 2 0.0017 0.007 0.0247
Echinococcus granulosus tubulin alpha 3 chain 0.0017 0.007 0.0581
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0265 0.1884
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.001 0.0013 0.0034
Echinococcus multilocularis tubulin alpha chain 0.0017 0.007 0.0103
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0.007 0.2524
Trypanosoma brucei ATP-binding cassette protein, putative 0.001 0.0013 0.0034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0329 0.2333
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0215 0.1527
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0438 0.3105
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.1054 0.1636
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0179 0.1409 0.1944
Plasmodium falciparum alpha tubulin 1 0.0017 0.007 0.0247
Loa Loa (eye worm) tubulin alpha chain 0.0017 0.007 0.0496
Schistosoma mansoni tubulin subunit beta 0.0009 0.0004 0.0028
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0019 0.0575
Loa Loa (eye worm) hypothetical protein 0.0023 0.0117 0.083
Onchocerca volvulus 0.0023 0.0117 0.0111
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0006 0.0007
Loa Loa (eye worm) hypothetical protein 0.0011 0.0019 0.0134
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Echinococcus multilocularis expressed conserved protein 0.0089 0.0668 0.1034
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0042
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0117 0.0422
Echinococcus granulosus ATP binding cassette sub family G 0.001 0.0013 0.0079
Loa Loa (eye worm) hypothetical protein 0.0048 0.0329 0.2333
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0054 0.0442
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0011 0.0019 0.0575
Echinococcus granulosus tubulin alpha 1C chain 0.0017 0.007 0.0581
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0011 0.0019 0.0056
Echinococcus granulosus ATP binding cassette sub family G 0.001 0.0013 0.0079
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0019 0.0132
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0019 0.0023
Loa Loa (eye worm) TK/EGFR protein kinase 0.0146 0.1139 0.8083
Echinococcus multilocularis tubulin alpha 3 chain 0.0017 0.007 0.0103
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0117 0.1588
Trichomonas vaginalis ABC transporter, putative 0.0011 0.0019 0.0575
Brugia malayi topoisomerase 0.001 0.0006 0.0008
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0117 0.0422
Schistosoma mansoni topbp1 0.001 0.0006 0.0042
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0069 0.0243
Echinococcus multilocularis ATP binding cassette sub family G 0.001 0.0013 0.0014
Schistosoma mansoni hypothetical protein 0.0039 0.0253 0.1797
Schistosoma mansoni hypothetical protein 0.0015 0.0054 0.0384
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0061 0.4308
Echinococcus multilocularis 0.0045 0.0302 0.0465
Schistosoma mansoni hypothetical protein 0.0039 0.0253 0.1797
Schistosoma mansoni tyrosine kinase 0.0079 0.0578 0.4103
Brugia malayi Protein kinase domain containing protein 0.0047 0.0314 0.0434
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0019 0.0023
Loa Loa (eye worm) hypothetical protein 0.005 0.0342 0.2424
Brugia malayi Tubulin alpha chain 0.0017 0.007 0.0096
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.0314 0.0484
Entamoeba histolytica hypothetical protein 0.0035 0.0215 0.2968
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0265 0.2304
Brugia malayi tubulin alpha-2 chain 0.0017 0.007 0.0096
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0716 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0438 0.0676
Onchocerca volvulus 0.0011 0.0019 0.0013
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0716 0.0987
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Toxoplasma gondii alpha-tubulin I, putative 0.0017 0.007 0.0247
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0179 0.1409 0.1944
Schistosoma mansoni tubulin subunit alpha 0.0017 0.007 0.0496
Echinococcus granulosus tubulin subunit TubB 0.0017 0.007 0.0581
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0061 0.4308
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0042
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0187
Echinococcus granulosus Tubulin alpha 1 chain 0.0017 0.007 0.0581
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.0019 0.0132
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0329 0.0454
Schistosoma mansoni tyrosine kinase 0.0078 0.0571 0.4055
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0006 0.0007
Echinococcus multilocularis tubulin alpha 1C chain 0.0017 0.007 0.0103
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0.0013 0.0636
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0296 0.257
Echinococcus granulosus insulin receptor 0.0047 0.0314 0.2734
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0054 0.0384
Schistosoma mansoni alpha tubulin 0.0017 0.007 0.0496
Schistosoma mansoni topbp1 0.001 0.0006 0.0042
Echinococcus multilocularis protein patched 0.0041 0.0265 0.0407
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0011 0.0019 0.0575
Echinococcus granulosus epidermal growth factor receptor 0.0146 0.1139 1
Echinococcus granulosus tubulin alpha 1C chain 0.0017 0.007 0.0581
Brugia malayi beta-tubulin, identical 0.0009 0.0004 0.0005
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0332 0.2678 1
Trypanosoma brucei ABC transporter, putative 0.001 0.0013 0.0034
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0019 0.0575
Trichomonas vaginalis ABC transporter, putative 0.0011 0.0019 0.0575
Entamoeba histolytica hypothetical protein 0.0035 0.0215 0.2968
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0.0006 0.5
Echinococcus multilocularis protein dispatched 1 0.0047 0.0313 0.0482
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0438 0.3105
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0019 0.0575
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0006 0.0008
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0438 0.3105
Schistosoma mansoni hypothetical protein 0.0015 0.0054 0.0384
Loa Loa (eye worm) hypothetical protein 0.0017 0.007 0.0496
Loa Loa (eye worm) tyrosinase 1 0.0179 0.1409 1
Trypanosoma brucei alpha tubulin 0.0017 0.007 0.0247
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.001 0.0013 0.0092
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0117 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0019 0.0575
Plasmodium falciparum telomerase reverse transcriptase 0.0332 0.2678 1
Echinococcus granulosus tubulin alpha chain 0.0017 0.007 0.0581
Echinococcus multilocularis peroxisome assembly protein 26 0.0017 0.007 0.0103
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0117 0.0161
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0438 0.3105
Echinococcus multilocularis Tubulin alpha 1 chain 0.0017 0.007 0.0103
Loa Loa (eye worm) tubulin alpha chain 0.0017 0.007 0.0496
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.012
Trichomonas vaginalis abcb9, putative 0.0011 0.0019 0.0575
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0019 0.0132
Entamoeba histolytica P-glycoprotein-2, putative 0.0011 0.0019 0.0211
Schistosoma mansoni hypothetical protein 0.0039 0.0253 0.1797
Schistosoma mansoni tubulin subunit beta 0.0009 0.0004 0.0028
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0117 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0332 0.2678 1
Trypanosoma brucei alpha tubulin 0.0017 0.007 0.0247
Toxoplasma gondii RNA-directed DNA polymerase 0.0332 0.2678 1
Echinococcus multilocularis tubulin alpha chain 0.0017 0.007 0.0103
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0.007 0.2524
Leishmania major alpha tubulin 0.0017 0.007 0.0247
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0054 0.0075
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0019 0.0575
Brugia malayi DKFZp564C0469 protein 0.001 0.0006 0.0008
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0042
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0054 0.0442
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0438 0.3105
Entamoeba histolytica P-glycoprotein 5, putative 0.0011 0.0019 0.0211
Loa Loa (eye worm) tubulin alpha 2 0.0013 0.0037 0.0259
Echinococcus granulosus peroxisome assembly protein 26 0.0017 0.007 0.0581
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0117 1
Brugia malayi Tubulin alpha-2 chain 0.0017 0.007 0.0096
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0489
Loa Loa (eye worm) ShTK domain-containing protein 0.0179 0.1409 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0438 0.3105
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0117 0.0161
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0006 0.0074
Trypanosoma brucei telomerase reverse transcriptase 0.0332 0.2678 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0019 0.0023
Loa Loa (eye worm) tubulin beta chain 0.0009 0.0004 0.0028
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0728 0.5165
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0716 0.1109
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0019 0.0575
Toxoplasma gondii alpha tubulin TUBA1 0.0017 0.007 0.0247
Entamoeba histolytica hypothetical protein 0.0035 0.0215 0.2968
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0296 0.2098
Schistosoma mansoni tyrosine kinase 0.0078 0.0571 0.4055
Loa Loa (eye worm) RNA binding protein 0.0062 0.0438 0.3105
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0061 0.4308
Trichomonas vaginalis tubulin beta chain, putative 0.0017 0.007 0.2524
Loa Loa (eye worm) multidrug resistance protein 3 0.0011 0.0019 0.0134
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0265 0.0407
Entamoeba histolytica ABC transporter, putative 0.001 0.0013 0.0126
Giardia lamblia Alpha-tubulin 0.0017 0.007 0.0247
Schistosoma mansoni tyrosine kinase 0.0078 0.0571 0.4055
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0012 0.0026 0.086
Brugia malayi alpha-tubulin 0.0017 0.007 0.0096
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0296 0.0455
Schistosoma mansoni tyrosinase precursor 0.0179 0.1409 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0019 0.0575
Loa Loa (eye worm) hypothetical protein 0.0017 0.0069 0.0489
Schistosoma mansoni patched 1 0.0041 0.0265 0.1884
Onchocerca volvulus 0.0179 0.1409 0.1404
Trichomonas vaginalis abcb9, putative 0.0011 0.0019 0.0575
Loa Loa (eye worm) hypothetical protein 0.0015 0.0054 0.0384
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0069 0.5099
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0047 0.0314 0.2734
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0061 0.4308
Entamoeba histolytica hypothetical protein 0.0035 0.0215 0.2968
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0006 0.0007
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0019 0.0575
Entamoeba histolytica tubulin alpha chain, putative 0.0017 0.007 0.0927
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0042
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0019 0.0575
Schistosoma mansoni tyrosine kinase 0.0047 0.0314 0.223
Brugia malayi Tubulin alpha-2 chain 0.0017 0.007 0.0096
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0006 0.0074
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0215 0.0329
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0117 0.0161
Brugia malayi ABC transporter family protein 0.0011 0.0019 0.0026

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 58 uM Inhibition of PTP1B ChEMBL. 19303291
Inhibition (binding) = 10.5 % Inhibition of alpha-glucosidase at 100 uM ChEMBL. 19303291
Inhibition (binding) = 81.6 % Inhibition of PTP1B at 100 uM ChEMBL. 19303291

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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