Detailed information for compound 1441782

Basic information

Technical information
  • TDR Targets ID: 1441782
  • Name: 4-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N- [2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)- 2-oxoethyl]benzamide
  • MW: 561.625 | Formula: C31H35N3O7
  • H donors: 2 H acceptors: 3 LogP: 3.45 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOCCCNC(=O)C(N(C(=O)c1ccc(cc1)NC(=O)C)Cc1ccc2c(c1)OCO2)c1ccc(cc1)OC
  • InChi: 1S/C31H35N3O7/c1-4-39-17-5-16-32-30(36)29(23-9-13-26(38-3)14-10-23)34(19-22-6-15-27-28(18-22)41-20-40-27)31(37)24-7-11-25(12-8-24)33-21(2)35/h6-15,18,29H,4-5,16-17,19-20H2,1-3H3,(H,32,36)(H,33,35)
  • InChiKey: OCZZWMUEIXHHLY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxo-ethyl]benzamide
  • 4-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3-ethoxypropylamino)-2-keto-1-(4-methoxyphenyl)ethyl]benzamide
  • C094-2210
  • NCGC00103780-01
  • STK142205

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Loa Loa (eye worm) hypothetical protein 0.0016 0.0027 0.0341
Onchocerca volvulus 0.0182 0.079 0.079
Trichomonas vaginalis ABC transporter, putative 0.0011 0.0005 0.0316
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0364 0.0967
Onchocerca volvulus 0.0182 0.079 0.079
Schistosoma mansoni hypothetical protein 0.0016 0.0027 0.0072
Schistosoma mansoni hypothetical protein 0.004 0.0138 0.0367
Entamoeba histolytica hypothetical protein 0.0035 0.0117 0.2949
Loa Loa (eye worm) hypothetical protein 0.0049 0.018 0.2284
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0005 0.0316
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0241 0.064
Trypanosoma cruzi ABC transporter, putative 0.001 0.0001 0.0005
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0117 0.031
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0403 0.107
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0241 0.3053
Echinococcus multilocularis multidrug resistance protein 1 0.0011 0.0005 0.0012
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.018 0.2284
Brugia malayi hypothetical protein 0.0035 0.0117 0.0161
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0005 0.0316
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0005 0.0012
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0045
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0062 0.0449
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0062 0.0225
Brugia malayi Common central domain of tyrosinase family protein 0.0182 0.079 0.1089
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0035 0.013
Echinococcus multilocularis ATP binding cassette sub family G 0.001 0.0001 0.0004
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0005 0.0012
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0005 0.0316
Trypanosoma cruzi ATP-binding cassette protein, putative 0.001 0.0001 0.0005
Brugia malayi TAR-binding protein 0.0062 0.0241 0.0332
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0058
Brugia malayi ShTK domain containing protein 0.0182 0.079 0.1089
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0062 0.0225
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0027 0.0072
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0005 0.0316
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0062 0.0449
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0062 0.0085
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.00000012441 0.000008579
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0446
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0005 0.0316
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0312 0.1381 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0182 0.079 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0364 0.0967
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0117 0.031
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0241 0.064
Schistosoma mansoni Lysine-specific histone demethylase 1 0.002 0.0049 0.0131
Mycobacterium ulcerans protoporphyrinogen oxidase 0.002 0.0049 0.0357
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0141 0.3557
Schistosoma mansoni multidrug resistance protein 0.0011 0.0005 0.0012
Schistosoma mansoni multidrug resistance protein 0.0011 0.0005 0.0012
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0005 0.0316
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0.0001 0.001
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0062 0.0085
Trypanosoma cruzi UDP-galactopyranose mutase 0.002 0.0049 0.0183
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.002 0.0049 0.0183
Echinococcus multilocularis 0.002 0.0049 0.0131
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.001 0.0004 0.0009
Trichomonas vaginalis ABC transporter, putative 0.0011 0.0005 0.0316
Loa Loa (eye worm) multidrug resistance protein 3 0.0011 0.0005 0.0058
Brugia malayi hypothetical protein 0.002 0.0049 0.0068
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0145 0.1836
Brugia malayi Telomerase reverse transcriptase 0.1596 0.7257 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.018 0.0249
Plasmodium falciparum multidrug resistance protein 1 0.0011 0.0005 0.0017
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3768 1
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.001 0.0001 0.0005
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0005 0.0316
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0035 0.0255
Onchocerca volvulus 0.002 0.0049 0.0049
Loa Loa (eye worm) ShTK domain-containing protein 0.0182 0.079 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0011 0.0005 0.0012
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0364 0.4612
Brugia malayi CHE-14 protein 0.0041 0.0145 0.02
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0005 0.0012
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0027 0.0037
Plasmodium vivax hypothetical protein, conserved 0.002 0.0049 0.0183
Brugia malayi SWIRM domain containing protein 0.002 0.0049 0.0068
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0312 0.1381 0.5117
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0062 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0062 0.0785
Giardia lamblia ABC transporter 0.001 0 0.0001
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0109 0.0151
Loa Loa (eye worm) hypothetical protein 0.0051 0.0188 0.2374
Trichomonas vaginalis taga, putative 0.0011 0.0005 0.0316
Echinococcus granulosus ATP binding cassette sub family G 0.001 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0446
Schistosoma mansoni hypothetical protein 0.0034 0.0109 0.029
Brugia malayi RNA binding protein 0.0062 0.0241 0.0332
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0005 0.0012
Echinococcus multilocularis multidrug resistance protein 1 0.0011 0.0005 0.0012
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0005 0.0316
Entamoeba histolytica ABC transporter, putative 0.001 0.0001 0.0035
Plasmodium vivax telomerase reverse transcriptase, putative 0.06 0.2699 1
Schistosoma mansoni hypothetical protein 0.004 0.0138 0.0367
Plasmodium falciparum protoporphyrinogen oxidase 0.002 0.0049 0.0183
Treponema pallidum DNA ligase (lig) 0.001 0 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0312 0.1381 1
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0145 0.0385
Entamoeba histolytica P-glyco protein 6, putative 0.0011 0.0005 0.0116
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0005 0.0316
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0397 0.1052
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0446
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0005 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0364 0.0967
Schistosoma mansoni hypothetical protein 0.004 0.0138 0.0367
Echinococcus granulosus lysine specific histone demethylase 1A 0.002 0.0049 0.0131
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0005 0.0316
Loa Loa (eye worm) hypothetical protein 0.0096 0.0397 0.5019
Echinococcus multilocularis protein patched 0.0041 0.0145 0.0385
Entamoeba histolytica hypothetical protein 0.0035 0.0117 0.2949
Entamoeba histolytica P-glycoprotein-5 0.0011 0.0005 0.0116
Echinococcus multilocularis replication factor c subunit 1 0.001 0.00000012441 0.00000033018
Loa Loa (eye worm) tyrosinase 1 0.0182 0.079 1
Onchocerca volvulus 0.0182 0.079 0.079
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0005 0.0316
Toxoplasma gondii RNA-directed DNA polymerase 0.06 0.2699 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0241 0.064
Onchocerca volvulus 0.0023 0.0062 0.0062
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0312 0.1381 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.002 0.0049 0.0183
Trichomonas vaginalis abcb9, putative 0.0011 0.0005 0.0316
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0062 0.0449
Echinococcus granulosus lysine specific histone demethylase 1A 0.002 0.0049 0.0131
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0005 0.0316
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0.0001 0.001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0364 0.0502
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0005 0.0316
Leishmania major UDP-galactopyranose mutase 0.002 0.0049 0.0177
Trichomonas vaginalis ABC transporter, putative 0.0011 0.0005 0.0316
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0027 0.0072
Trypanosoma brucei telomerase reverse transcriptase 0.06 0.2699 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0446
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0005 0.0012
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.002 0.0049 0.7942
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.06 0.2699 1
Entamoeba histolytica hypothetical protein 0.0035 0.0117 0.2949
Echinococcus granulosus replication factor c subunit 1 0.001 0.00000012441 0.00000033018
Mycobacterium tuberculosis Possible oxidoreductase 0.002 0.0049 0.0325
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0624
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0364 0.0967
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0062 0.0417
Leishmania major p-glycoprotein 0.0011 0.0005 0.0012
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0446
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.06 0.2699 1
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.00000012441 0.000008579
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0062 0.1565
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.0005 0.0012
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.029 0.1281 0.9276
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0005 0.0316
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0624
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0241 0.064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0364 0.0967
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.018 0.0249
Entamoeba histolytica hypothetical protein 0.0035 0.0117 0.2949
Leishmania major telomerase reverse transcriptase, putative 0.06 0.2699 1
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.001 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0624
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0182 0.079 0.1089
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0141 0.3557
Entamoeba histolytica P-glycoprotein-1 0.0011 0.0005 0.0116
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0011 0.0005 0.0316
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0241 0.0332
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0145 0.0385
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.002 0.0049 0.0183
Echinococcus multilocularis expressed conserved protein 0.009 0.037 0.0981
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0241 0.064
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0005 0.0316
Schistosoma mansoni multidrug resistance protein 0.0011 0.0005 0.0012
Brugia malayi amine oxidase, flavin-containing family protein 0.002 0.0049 0.0068
Plasmodium vivax multidrug resistance protein 1, putative 0.0011 0.0005 0.0017
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0027 0.0341
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0312 0.1381 1
Schistosoma mansoni smdr2 0.0011 0.0005 0.0012
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0062 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0005 0.0012
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0141 0.3557
Schistosoma mansoni amine oxidase 0.002 0.0049 0.0131
Trichomonas vaginalis abcb9, putative 0.0011 0.0005 0.0316
Schistosoma mansoni tyrosinase precursor 0.0182 0.079 0.2097
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0011 0.0005 0.0316
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0.0001 0.001
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.0005 0.0012
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0182 0.079 0.1089
Loa Loa (eye worm) hypothetical protein 0.0023 0.0062 0.0785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0364 0.0967
Plasmodium vivax ABC transporter G family member 2, putative 0.001 0.0001 0.0005
Mycobacterium ulcerans dehydrogenase 0.002 0.0049 0.0357
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.0005 0.0012
Schistosoma mansoni hypothetical protein 0.004 0.0138 0.0367
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0058
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0241 0.3053
Loa Loa (eye worm) hypothetical protein 0.0182 0.079 1
Schistosoma mansoni amine oxidase 0.002 0.0049 0.0131
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0005 0.0316
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0031 0.0191
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0027 0.0037
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0031 0.0191
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0312 0.1381 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0364 0.0967
Onchocerca volvulus 0.0011 0.0005 0.0005
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0062 0.0449
Trypanosoma brucei ABC transporter, putative 0.001 0.0001 0.0005
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0062 0.0449
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0035 0.0255
Onchocerca volvulus 0.0182 0.079 0.079
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0182 0.079 0.1089
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.00000012441 0.000008579
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0141 0.3557
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0397 0.0546
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0117 0.031
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0312 0.1381 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3768 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.002 0.0049 0.0357
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0011 0.0005 0.0017
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0793 0.3585 0.9514
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0031 0.0191
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0624
Plasmodium falciparum ABC transporter G family member 2 0.001 0.0001 0.0005
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.0005 0.0012
Entamoeba histolytica P-glycoprotein 5, putative 0.0011 0.0005 0.0116
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0269 0.1188 0.8596
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0312 0.1381 0.5117
Entamoeba histolytica P-glycoprotein-2 0.0011 0.0005 0.0116
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0062 0.0449
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.002 0.0049 0.0131
Echinococcus multilocularis protoporphyrinogen oxidase 0.002 0.0049 0.0131
Echinococcus multilocularis lysine specific histone demethylase 1A 0.002 0.0049 0.0131
Brugia malayi multidrug resistance protein 3 0.0011 0.0005 0.0006
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0182 0.079 0.1089
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0062 0.1565
Schistosoma mansoni patched 1 0.0041 0.0145 0.0385
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0011 0.0005 0.0017
Echinococcus multilocularis ATP binding cassette sub family B 0.001 0.0004 0.0009
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0049 0.0325
Loa Loa (eye worm) hypothetical protein 0.0041 0.0145 0.1836
Mycobacterium ulcerans hypothetical protein 0.0023 0.0062 0.0449
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0397 0.1052
Echinococcus multilocularis ATP binding cassette sub family G 0.001 0.0001 0.0004
Entamoeba histolytica fatty acid elongase, putative 0.004 0.0141 0.3557
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0031 0.0191
Echinococcus multilocularis GPCR, family 2 0.0016 0.0027 0.0072
Echinococcus granulosus tar DNA binding protein 0.0062 0.0241 0.064
Plasmodium falciparum telomerase reverse transcriptase 0.06 0.2699 1
Mycobacterium ulcerans oxidoreductase 0.002 0.0049 0.0357
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.0005 0.0012
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0062 0.0085
Echinococcus multilocularis protein dispatched 1 0.0047 0.0172 0.0456
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0062 0.1565
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0035 0.013
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0035 0.0223
Schistosoma mansoni hypothetical protein 0.0016 0.0027 0.0072
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0027 0.0072
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.0005 0.0316
Echinococcus multilocularis ATP binding cassette sub family G 0.001 0.0001 0.0004
Toxoplasma gondii histone lysine-specific demethylase 0.002 0.0049 0.0183
Plasmodium vivax hypothetical protein, conserved 0.002 0.0049 0.0183
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.002 0.0049 0.0183
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0062 0.0449
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0145 0.0385
Entamoeba histolytica P-glycoprotein-2, putative 0.0011 0.0005 0.0116
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0241 0.064
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.002 0.0049 0.0183
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0624
Trypanosoma brucei ATP-binding cassette protein, putative 0.001 0.0001 0.0005
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.029 0.1281 0.9276
Entamoeba histolytica P-glycoprotein-2 0.0011 0.0005 0.0116
Mycobacterium ulcerans monoamine oxidase 0.002 0.0049 0.0357
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0011 0.0005 0.0058
Brugia malayi ABC transporter family protein 0.0011 0.0005 0.0006
Loa Loa (eye worm) hypothetical protein 0.0182 0.079 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0062 0.0417
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.0005 0.0316
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0145 1
Giardia lamblia Telomerase catalytic subunit 0.06 0.2699 1
Echinococcus granulosus expressed conserved protein 0.009 0.037 0.0981
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0062 0.0225
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0586 0.1554
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0624
Schistosoma mansoni hypothetical protein 0.0035 0.0117 0.031
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3768 1
Schistosoma mansoni tyrosinase precursor 0.0182 0.079 0.2097
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0005 0.0316
Echinococcus granulosus GPCR family 2 0.0016 0.0027 0.0072
Trichomonas vaginalis abcb9, putative 0.0011 0.0005 0.0316
Trichomonas vaginalis ABC transporter, putative 0.0011 0.0005 0.0316
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0027 0.0072
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.0005 0.0316
Echinococcus granulosus ATP binding cassette sub family G 0.001 0.0001 0.0004
Toxoplasma gondii ATPase, AAA family protein 0.001 0.00000012441 0.0000004609
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0397 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.00000012441 0.0000031374
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0011 0.0005 0.0033
Schistosoma mansoni hypothetical protein 0.0016 0.0027 0.0072
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.00000012441 0.00000033018
Echinococcus granulosus ATP binding cassette sub family G 0.001 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0034 0.0109 0.1385
Loa Loa (eye worm) RNA binding protein 0.0062 0.0241 0.3053
Loa Loa (eye worm) hypothetical protein 0.0023 0.0062 0.0785
Schistosoma mansoni hypothetical protein 0.0016 0.0027 0.0072
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0586 0.1554
Plasmodium vivax protoporphyrinogen oxidase, putative 0.002 0.0049 0.0183

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.1 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.