Detailed information for compound 507447

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 536.666 | Formula: C29H40N6O4
  • H donors: 1 H acceptors: 4 LogP: 2.85 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(CCCNc1cc2c3c4c1c(=O)n(c(=O)c4ccc3c(=O)n(c2=O)CCCN(C)C)CCCN(C)C)C
  • InChi: 1S/C29H40N6O4/c1-31(2)13-7-12-30-22-18-21-23-19(26(36)34(28(21)38)16-8-14-32(3)4)10-11-20-24(23)25(22)29(39)35(27(20)37)17-9-15-33(5)6/h10-11,18,30H,7-9,12-17H2,1-6H3
  • InChiKey: OPRTZQLHQJSDPA-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0781 0.4001
Echinococcus granulosus tissue type plasminogen activator 0.0054 0.0225 0.0269
Echinococcus granulosus smad 0.0016 0.0004 0.0005
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0004 0.0032
Onchocerca volvulus 0.0053 0.0224 0.144
Toxoplasma gondii PAN domain-containing protein 0.0053 0.0224 0.0464
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0283 0.7198
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0044 0.1541
Loa Loa (eye worm) hypothetical protein 0.0053 0.0224 0.1632
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Loa Loa (eye worm) hypothetical protein 0.0053 0.0224 0.1632
Echinococcus granulosus lysine specific demethylase 5A 0.0119 0.0613 0.0732
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0032 0.0095 0.4235
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0066
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0032 0.0095 0.0198
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0016 0.002
Brugia malayi jmjC domain containing protein 0.0032 0.0095 0.0696
Loa Loa (eye worm) jmjC domain-containing protein 0.0119 0.0613 0.4472
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0148 0.0781 0.5697
Loa Loa (eye worm) hypothetical protein 0.0023 0.0044 0.0318
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0004 0.0004
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.039 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0004 0.0125
Schistosoma mansoni hypothetical protein 0.0054 0.0225 0.1154
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.01 0.0207
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0066
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0044 0.0907
Loa Loa (eye worm) PAN domain-containing protein 0.0053 0.0224 0.1632
Toxoplasma gondii kringle domain-containing protein 0.0054 0.0225 0.0467
Schistosoma mansoni hypothetical protein 0.0071 0.0327 0.1677
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0004 0.0004
Echinococcus granulosus enteropeptidase 0.0019 0.002 0.0024
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0016 0.0016
Mycobacterium ulcerans hypothetical protein 0.0023 0.0044 0.0907
Echinococcus multilocularis Smad4 0.0016 0.0004 0.0004
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Schistosoma mansoni hypothetical protein 0.0033 0.0102 0.0521
Echinococcus multilocularis JmjC domain containing protein 4 0.0032 0.0095 0.0095
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0016 0.073
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.01 0.0511
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.0781 0.0933
Plasmodium vivax SET domain protein, putative 0.0033 0.01 0.256
Entamoeba histolytica hypothetical protein 0.0147 0.0779 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.002 0.0101
Schistosoma mansoni phosphatidylserine receptor 0.0032 0.0095 0.0489
Plasmodium falciparum JmjC domain-containing protein, putative 0.0032 0.0095 0.2448
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0147 0.0779 0.093
Loa Loa (eye worm) hypothetical protein 0.0023 0.0044 0.0318
Trichomonas vaginalis set domain proteins, putative 0.0258 0.1436 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.039 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0095 0.0696
Onchocerca volvulus 0.0053 0.0224 0.144
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Brugia malayi Smad1 0.0016 0.0004 0.0032
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.002 0.0101
Loa Loa (eye worm) PAN domain-containing protein 0.0053 0.0224 0.1632
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0044 0.1541
Echinococcus granulosus JmjC domain containing protein 4 0.0032 0.0095 0.0114
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0044 0.0907
Schistosoma mansoni hypothetical protein 0.0346 0.1953 1
Echinococcus granulosus Mastin 0.0019 0.002 0.0024
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0009 0.0234
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.039 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0054 0.0225 0.1643
Loa Loa (eye worm) hypothetical protein 0.0032 0.0095 0.0696
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0032 0.0095 0.4235
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.01 0.01
Onchocerca volvulus 0.0053 0.0224 0.144
Loa Loa (eye worm) hypothetical protein 0.0071 0.0327 0.2388
Brugia malayi Protein kinase domain containing protein 0.0054 0.0225 0.1643
Entamoeba histolytica hypothetical protein 0.0147 0.0779 1
Brugia malayi hypothetical protein 0.0147 0.0779 0.5681
Echinococcus granulosus lysine specific demethylase 6a 0.0032 0.0095 0.0114
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0028 0.0073 0.0859
Loa Loa (eye worm) jmjC domain-containing protein 0.0032 0.0095 0.0696
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0019 0.002 0.0024
Loa Loa (eye worm) hypothetical protein 0.0032 0.0095 0.0696
Toxoplasma gondii subtilisin SUB12 0.0053 0.0224 0.0464
Toxoplasma gondii hypothetical protein 0.0053 0.0224 0.0464
Loa Loa (eye worm) hypothetical protein 0.0023 0.0044 0.0318
Onchocerca volvulus 0.0054 0.0225 0.1451
Echinococcus multilocularis lysine specific demethylase 6a 0.0032 0.0095 0.0095
Plasmodium falciparum cysteine repeat modular protein 1 0.0054 0.0225 0.578
Echinococcus multilocularis jumonji domain containing 1A 0.0032 0.0095 0.0095
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0781 0.4001
Toxoplasma gondii PAN domain-containing protein 0.0053 0.0224 0.0464
Echinococcus multilocularis Mastin 0.0019 0.002 0.002
Echinococcus multilocularis smad 0.0016 0.0004 0.0004
Brugia malayi Pre-SET motif family protein 0.0227 0.125 0.9119
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0144
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0032 0.0095 0.0489
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0073 0.1882
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0016 0.0193
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0073 0.1525
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.039 1
Entamoeba histolytica hypothetical protein 0.0147 0.0779 1
Toxoplasma gondii hypothetical protein 0.0053 0.0224 0.0464
Loa Loa (eye worm) hypothetical protein 0.0247 0.1371 1
Toxoplasma gondii PAN domain-containing protein 0.0053 0.0224 0.0464
Loa Loa (eye worm) PAN domain-containing protein 0.0053 0.0224 0.1632
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0016 0.012
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0032 0.0095 0.0114
Echinococcus multilocularis neuropeptide s receptor 0.143 0.8371 0.8371
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0016 0.1724
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0044 0.0318
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.0522 0.3807
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0044 0.0356
Loa Loa (eye worm) PAN domain-containing protein 0.0053 0.0224 0.1632
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0019 0.002 0.002
Toxoplasma gondii microneme protein MIC4 0.0053 0.0224 0.0464
Loa Loa (eye worm) hypothetical protein 0.0104 0.0522 0.3807
Echinococcus granulosus glycoprotein Antigen 5 0.0019 0.002 0.0024
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.039 0.039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.0781 0.0781
Echinococcus granulosus GPCR family 2 0.0033 0.0102 0.0121
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0147 0.0779 0.0779
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0016 0.073
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.01 0.0511
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0073 0.1882
Loa Loa (eye worm) hypothetical protein 0.0033 0.01 0.0728
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0019 0.002 0.002
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.039 0.0807
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.002 0.0101
Schistosoma mansoni Smad4 0.0016 0.0004 0.0023
Schistosoma mansoni hypothetical protein 0.005 0.0206 0.1054
Echinococcus granulosus jumonji domain containing 1A 0.0032 0.0095 0.0114
Echinococcus multilocularis neuropeptide receptor A26 0.143 0.8371 0.8371
Brugia malayi Trypsin family protein 0.0019 0.002 0.0144
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Loa Loa (eye worm) hypothetical protein 0.0082 0.039 0.2842
Schistosoma mansoni hypothetical protein 0.0019 0.002 0.0101
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0144
Schistosoma mansoni hypothetical protein 0.0346 0.1953 1
Toxoplasma gondii microneme protein MIC17B 0.0053 0.0224 0.0464
Schistosoma mansoni jumonji domain containing protein 0.0119 0.0613 0.314
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.0781 0.0781
Echinococcus multilocularis glycoprotein Antigen 5 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0053 0.0224 0.1632
Echinococcus multilocularis transmembrane protease serine 3 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0144
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.039 1
Schistosoma mansoni hypothetical protein 0.0019 0.002 0.0101
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0019 0.002 0.0024
Brugia malayi jmjC domain containing protein 0.0032 0.0095 0.0696
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0283 0.0586
Toxoplasma gondii PAN/Apple domain-containing protein 0.0053 0.0224 0.0464
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0119 0.0613 0.0732
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0102 0.0102
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0283 0.0283
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0102 0.0121
Schistosoma mansoni hypothetical protein 0.0033 0.0102 0.0521
Toxoplasma gondii PAN domain-containing protein 0.0831 0.4826 1
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Toxoplasma gondii microneme protein MIC17A 0.0053 0.0224 0.0464
Brugia malayi MH2 domain containing protein 0.0016 0.0004 0.0032
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0044 0.1541
Onchocerca volvulus 0.005 0.0206 0.1313
Loa Loa (eye worm) trypsin family protein 0.0019 0.002 0.0144
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0004 0.0005
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0016 0.012
Onchocerca volvulus 0.0023 0.0044 0.0168
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0093 0.0111
Onchocerca volvulus 0.0053 0.0224 0.144
Echinococcus multilocularis phd:f box containing protein 0.0032 0.0095 0.0095
Echinococcus multilocularis geminin 0.0346 0.1953 0.1953
Echinococcus multilocularis GPCR, family 2 0.0033 0.0102 0.0102
Brugia malayi Trypsin-like protease protein 5 0.0019 0.002 0.0144
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.0223 0.5196
Brugia malayi MH2 domain containing protein 0.0016 0.0004 0.0032
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.039 0.0807
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0066
Leishmania major hypothetical protein, conserved 0.0032 0.0095 0.337
Loa Loa (eye worm) jmjC domain-containing protein 0.0032 0.0095 0.0696
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0283 0.1449
Brugia malayi jmjC domain containing protein 0.0032 0.0095 0.0696
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Echinococcus granulosus neuropeptide s receptor 0.143 0.8371 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0144
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0144
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0206 0.15
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0102 0.0102
Schistosoma mansoni jumonji/arid domain-containing protein 0.0119 0.0613 0.314
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0053 0.0224 0.0464
Brugia malayi Probable ClpP-like protease 0.0082 0.039 0.2842
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0019 0.002 0.0101
Schistosoma mansoni ap endonuclease 0.0018 0.0016 0.0084
Schistosoma mansoni smad 0.0016 0.0004 0.0023
Schistosoma mansoni ap endonuclease 0.0018 0.0016 0.0084
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0044 0.1541
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.01 0.0511
Loa Loa (eye worm) Smad1 0.0016 0.0004 0.0032
Echinococcus multilocularis peptidase Clp (S14 family) 0.0053 0.0223 0.0223
Schistosoma mansoni smad1 5 8 and 0.0016 0.0004 0.0023
Onchocerca volvulus 0.0258 0.1436 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0016 0.0581
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.039 1
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Schistosoma mansoni smad1 5 8 and 0.0016 0.0004 0.0023
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0066
Echinococcus multilocularis survival motor neuron protein 1 0.0247 0.1371 0.1371
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.01 0.01
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.0522 0.3807
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Brugia malayi Kringle domain containing protein 0.0054 0.0225 0.1643
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0102 0.0741
Schistosoma mansoni transcription factor LCR-F1 0.0147 0.0779 0.3989
Echinococcus multilocularis lysine specific demethylase 5A 0.0119 0.0613 0.0613
Echinococcus granulosus Smad4 0.0016 0.0004 0.0005
Brugia malayi Trypsin family protein 0.0019 0.002 0.0144
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0044 0.0907
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0004 0.0125
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.1335 0.9739
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0283 0.0338
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0102 0.0741
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.0223 0.0267
Onchocerca volvulus 0.0033 0.01 0.0565
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Loa Loa (eye worm) hypothetical protein 0.0053 0.0224 0.1632
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0102 0.0741
Onchocerca volvulus 0.0053 0.0224 0.144
Echinococcus granulosus transmembrane protease serine 3 0.0019 0.002 0.0024
Brugia malayi hypothetical protein 0.0247 0.1371 1
Echinococcus granulosus geminin 0.0346 0.1953 0.2332
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0044 0.1541
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0004 0.0125
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0066
Brugia malayi MH2 domain containing protein 0.0241 0.1335 0.9739
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0044 0.0907
Brugia malayi jmjC domain containing protein 0.0032 0.0095 0.0696
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0225 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0019 0.002 0.0144
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Brugia malayi MH1 domain containing protein 0.0016 0.0004 0.0032
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0148 0.0781 0.5697
Schistosoma mansoni phd/f-box containing protein 0.0032 0.0095 0.0489
Leishmania major hypothetical protein, conserved 0.0054 0.0225 0.7958
Brugia malayi jmjC domain containing protein 0.0119 0.0613 0.4472
Onchocerca volvulus 0.0053 0.0224 0.144
Schistosoma mansoni smad1 5 8 and 0.0016 0.0004 0.0023
Echinococcus granulosus survival motor neuron protein 1 0.0247 0.1371 0.1638
Plasmodium vivax JmjC domain containing protein 0.0032 0.0095 0.2448
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0781 0.4001
Echinococcus multilocularis enteropeptidase 0.0019 0.002 0.002
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0009 0.0234
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0032 0.0095 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.002 0.0101
Onchocerca volvulus 0.0053 0.0224 0.144
Toxoplasma gondii microneme protein, putative 0.0053 0.0224 0.0464
Schistosoma mansoni jumonji domain containing protein 0.0032 0.0095 0.0489
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0044 0.0356
Mycobacterium ulcerans hypothetical protein 0.0019 0.002 0.028
Echinococcus multilocularis tissue type plasminogen activator 0.0054 0.0225 0.0225
Entamoeba histolytica hypothetical protein 0.0147 0.0779 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.0223 0.7893
Brugia malayi Pre-SET motif family protein 0.0033 0.01 0.0728
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0016 0.0422
Onchocerca volvulus 0.0053 0.0224 0.144
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Brugia malayi jmjC domain containing protein 0.0119 0.0613 0.4472
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0044 0.0907
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.01 0.0511
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0032 0.0095 0.0198
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0119 0.0613 0.0613
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0044 0.0907
Onchocerca volvulus 0.0053 0.0224 0.144
Loa Loa (eye worm) PAN domain-containing protein 0.0053 0.0224 0.1632
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.0522 0.3807
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0044 0.0318
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.039 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0283 0.7198
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.002 0.0101
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.002 0.0101
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0019 0.002 0.0101
Schistosoma mansoni hypothetical protein 0.0033 0.0102 0.0521
Loa Loa (eye worm) hypothetical protein 0.0053 0.0224 0.1632
Toxoplasma gondii hypothetical protein 0.0028 0.0073 0.0152
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0004 0.0125
Brugia malayi hypothetical protein 0.0019 0.002 0.0144
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.039 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0102 0.0741
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0144
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0054 0.0225 0.578
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0016 0.5
Echinococcus granulosus neuropeptide receptor A26 0.143 0.8371 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0283 0.7198
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0044 0.0356
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0032 0.0095 0.0095
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.039 0.1996
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0283 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0004 0.0032
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0327 0.2388
Onchocerca volvulus 0.0053 0.0224 0.144
Brugia malayi Trypsin family protein 0.0019 0.002 0.0144
Onchocerca volvulus 0.0053 0.0224 0.144
Toxoplasma gondii exonuclease III APE 0.0018 0.0016 0.0034
Schistosoma mansoni protein phosphatase 2C 0.0032 0.0095 0.0489
Loa Loa (eye worm) hypothetical protein 0.0053 0.0224 0.1632
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0016 0.0422
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.039 1
Schistosoma mansoni hypothetical protein 0.0147 0.0779 0.3989
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0004 0.0023
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0044 0.0318
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0144
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0016 0.0581
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0004 0.0005
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0283 1
Brugia malayi Trypsin family protein 0.0019 0.002 0.0144
Schistosoma mansoni cercarial elastase (S01 family) 0.0019 0.002 0.0101
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0102 0.0121
Loa Loa (eye worm) hypothetical protein 0.0053 0.0224 0.1632
Brugia malayi MH1 domain containing protein 0.0016 0.0004 0.0032
Schistosoma mansoni hypothetical protein 0.0033 0.0102 0.0521
Toxoplasma gondii PAN domain-containing protein 0.0831 0.4826 1
Toxoplasma gondii PAN domain-containing protein 0.0053 0.0224 0.0464
Brugia malayi PAN domain containing protein 0.0053 0.0224 0.1632
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.039 0.0465
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.1335 0.9739
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.01 0.0119
Toxoplasma gondii microneme protein MIC17C 0.0053 0.0224 0.0464
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0044 0.0907
Loa Loa (eye worm) jmjC domain-containing protein 0.0032 0.0095 0.0696
Echinococcus granulosus phd:f box containing protein 0.0032 0.0095 0.0114
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0227 0.125 0.9119
Schistosoma mansoni survival motor neuron protein 0.005 0.0206 0.1054
Loa Loa (eye worm) hypothetical protein 0.0054 0.0225 0.1643
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0009 0.0322
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0283 0.1449
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.0223 0.7893
Schistosoma mansoni jumonji/arid domain-containing protein 0.0119 0.0613 0.314
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.0781 0.0933

Activities

Activity type Activity value Assay description Source Reference
deltaTm (binding) = 12.5 degrees C Stabilization of calf thymus duplex DNA at 0.5 uM by FRET assay ChEMBL. 18243701
deltaTm (binding) = 26.5 degrees C Stabilization of human telomeric G4 DNA quadruplex at 0.5 uM by FRET assay ChEMBL. 18243701
EC50 (binding) = 17 uM Inhibition of telomerase (unknown origin) by TRAP assay ChEMBL. 18243701
IC50 (functional) = 5.4 nM Antiproliferative activity against human MCF7 cells by SRB assay ChEMBL. 18243701
IC50 (functional) = 5.4 nM Antiproliferative activity against human MCF7 cells by SRB assay ChEMBL. 18243701
IC50 (functional) = 13.3 nM Antiproliferative activity against human A549 cells by SRB assay ChEMBL. 18243701
IC50 (functional) = 13.3 nM Antiproliferative activity against human A549 cells by SRB assay ChEMBL. 18243701
IC50 (functional) = 42.8 nM Antiproliferative activity against human WI38 cells by SRB assay ChEMBL. 18243701
IC50 (functional) = 42.8 nM Antiproliferative activity against human WI38 cells by SRB assay ChEMBL. 18243701

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18243701

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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