Detailed information for compound 149937

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 507.557 | Formula: C27H30FN5O4
  • H donors: 1 H acceptors: 3 LogP: 2.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCN(CC1)Cc1onc(c1)c1ccc(cc1)C
  • InChi: 1S/C27H30FN5O4/c1-18-3-5-20(6-4-18)25-14-22(37-30-25)16-31-9-11-32(12-10-31)26-8-7-21(13-24(26)28)33-17-23(36-27(33)35)15-29-19(2)34/h3-8,13-14,23H,9-12,15-17H2,1-2H3,(H,29,34)/t23-/m0/s1
  • InChiKey: IUYFHSROOFIMPQ-QHCPKHFHSA-N  


Substructure search Similarity search

Network

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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
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0488 0.1632
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0961 1
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0055 0.0748
Schistosoma mansoni chromobox protein 0.0068 0.1778 0.712
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0184 0.0397
Brugia malayi SET domain containing protein 0.0011 0.0055 0.0104
Trichomonas vaginalis chromobox protein, putative 0.0011 0.0055 0.0223
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0055 0.0223
Brugia malayi hypothetical protein 0.0091 0.2498 0.5629
Brugia malayi hypothetical protein 0.0035 0.0782 0.1748
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0185 0.0741
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0009 0.5
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0009 0.0094
Trichomonas vaginalis DNA polymerase eta, putative 0.0077 0.2074 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0051 0.1287 0.2892
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0488 0.232
Echinococcus granulosus acetylcholinesterase 0.0067 0.1759 0.3958
Brugia malayi Carboxylesterase family protein 0.0011 0.0063 0.0122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1161 0.4648
Echinococcus multilocularis para nitrobenzyl esterase 0.0011 0.0063 0.0122
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0018 0.0271 0.0594
Onchocerca volvulus 0.0011 0.0063 0.0565
Echinococcus multilocularis bloom syndrome protein 0.0044 0.1059 0.2375
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0011 0.0063 0.0251
Loa Loa (eye worm) carboxylesterase 0.0067 0.1759 0.3958
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0271 0.2832
Trichomonas vaginalis DNA helicase recq1, putative 0.0044 0.1059 0.5085
Brugia malayi M-phase phosphoprotein, mpp8 0.0011 0.0055 0.0104
Trichomonas vaginalis DNA helicase recq, putative 0.0044 0.1059 0.5085
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0463 0.22
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0185 0.0398
Echinococcus multilocularis chromobox protein 1 0.0068 0.1778 0.4002
Echinococcus multilocularis dna polymerase eta 0.0076 0.2041 0.4596
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0055 0.0104
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0.0055 0.0575
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0009 0.0036
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0.0055 0.0104
Leishmania major DNA polymerase kappa, putative 0.0058 0.1483 0.6992
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0488 0.0479
Brugia malayi hypothetical protein 0.0016 0.0199 0.043
Loa Loa (eye worm) hypothetical protein 0.0134 0.3795 0.8563
Entamoeba histolytica hypothetical protein 0.0011 0.0055 0.0055
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0055 0.0104
Giardia lamblia DINP protein human, muc B family 0.0058 0.1483 0.1475
Schistosoma mansoni DNA helicase recq1 0.0018 0.0271 0.1087
Trichomonas vaginalis spcc417.12 protein, putative 0.0011 0.0063 0.026
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0122
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.2074 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0058 0.1483 0.7136
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.2074 1
Schistosoma mansoni flap endonuclease-1 0.0023 0.0414 0.1658
Echinococcus multilocularis GPCR, family 2 0.0015 0.0184 0.0397
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.2074 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0055 0.0223
Schistosoma mansoni hypothetical protein 0.0015 0.0184 0.0738
Loa Loa (eye worm) hypothetical protein 0.0155 0.443 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1161 0.2605
Echinococcus multilocularis acetylcholinesterase 0.0067 0.1759 0.3958
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0995 0.4777
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0185 0.0398
Onchocerca volvulus 0.0011 0.0063 0.0565
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0018 0.0271 0.0594
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1778 0.8569
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0011 0.0063 0.0122
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0055 0.0223
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0011 0.0055 0.0519
Brugia malayi Valyl-tRNA synthetase 0.0011 0.0055 0.0104
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0011 0.0063 0.026
Brugia malayi ImpB/MucB/SamB family protein 0.0051 0.1287 0.2892
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0434 0.1343
Echinococcus granulosus dna polymerase kappa 0.0077 0.2074 0.467
Loa Loa (eye worm) hypothetical protein 0.0091 0.2498 0.5629
Echinococcus multilocularis Chromo domain 0.0011 0.0055 0.0104
Loa Loa (eye worm) hypothetical protein 0.0076 0.2041 0.4596
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1161 0.2605
Onchocerca volvulus 0.003 0.0623 0.6456
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0055 0.0223
Trypanosoma cruzi DNA polymerase eta, putative 0.0076 0.2041 0.984
Loa Loa (eye worm) hypothetical protein 0.0038 0.0873 0.1954
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0185 0.0398
Echinococcus granulosus muscleblind protein 0.0155 0.443 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0029 0.0614 0.6405
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0184 0.0397
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0055 0.0221
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0011 0.0055 0.0221
Schistosoma mansoni hypothetical protein 0.0011 0.0052 0.0209
Mycobacterium ulcerans carboxylesterase, LipT 0.0011 0.0063 0.026
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0011 0.0055 0.0519
Echinococcus multilocularis neuroligin 0.0011 0.0063 0.0122
Brugia malayi hypothetical protein 0.0011 0.0063 0.0122
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0434 0.206
Loa Loa (eye worm) hypothetical protein 0.0011 0.0055 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0055 0.0223
Schistosoma mansoni topbp1 0.001 0.0009 0.0036
Loa Loa (eye worm) hypothetical protein 0.0033 0.0726 0.1621
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0051 0.1287 0.5154
Leishmania major hypothetical protein, conserved 0.0024 0.0463 0.1499
Echinococcus multilocularis BC026374 protein (S09 family) 0.0011 0.0063 0.0122
Mycobacterium ulcerans DNA polymerase IV 0.0077 0.2074 1
Echinococcus multilocularis carboxylesterase 5A 0.0067 0.1759 0.3958
Loa Loa (eye worm) hypothetical protein 0.0018 0.0271 0.0594
Brugia malayi Carboxylesterase family protein 0.0011 0.0063 0.0122
Entamoeba histolytica hypothetical protein 0.001 0.0009 0.0009
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0185 0.0853
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0055 0.0223
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0055 0.0223
Loa Loa (eye worm) hypothetical protein 0.0011 0.0055 0.0104
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0055 0.0748
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0122
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0185 0.0862
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0096 0.2643 0.2643
Brugia malayi Heterochromatin protein 1 0.0068 0.1778 0.4002
Schistosoma mansoni chromobox protein 0.0011 0.0055 0.0221
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0052 0.0098
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0873 0.9078
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0185 0.286
Schistosoma mansoni DNA ligase IV 0.001 0.0009 0.0036
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0961 0.4608
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1161 0.2605
Echinococcus granulosus Chromo domain 0.0011 0.0055 0.0104
Loa Loa (eye worm) hypothetical protein 0.0067 0.1759 0.3958
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0077 0.2074 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0055 0.0223
Echinococcus multilocularis acetylcholinesterase 0.0067 0.1759 0.3958
Trypanosoma brucei DNA polymerase IV, putative 0.0071 0.1879 0.9055
Entamoeba histolytica hypothetical protein 0.0011 0.0055 0.0055
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0055 0.0104
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0122
Loa Loa (eye worm) carboxylesterase 0.0011 0.0063 0.0122
Loa Loa (eye worm) helicase 0.0011 0.0055 0.0104
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0782 0.1748
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0058 0.1483 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0018 0.0271 0.2958
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.2074 1
Giardia lamblia DNA damage repair protein 0.0016 0.0205 0.0196
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0052 0.0098
Echinococcus granulosus neuroligin 0.0011 0.0063 0.0122
Mycobacterium tuberculosis Conserved hypothetical protein 0.0051 0.1287 0.8626
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0055 0.0104
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0051 0.1287 0.2892
Loa Loa (eye worm) acetylcholinesterase 1 0.0067 0.1759 0.3958
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0016 0.0205 0.2139
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0055 0.0104
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0488 0.1083
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1192 0.2676
Onchocerca volvulus 0.0011 0.0055 0.0484
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.2074 1
Trichomonas vaginalis Heterochromatin protein, putative 0.0011 0.0055 0.0223
Brugia malayi Bloom's syndrome protein homolog 0.0044 0.1059 0.2375
Giardia lamblia Sgs1 DNA helicase, putative 0.0018 0.0271 0.0263
Schistosoma mansoni hypothetical protein 0.0015 0.0184 0.0738
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0463 0.5122
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0185 0.1931
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0055 0.0221
Echinococcus granulosus chromobox protein 1 0.0068 0.1778 0.4002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0184 0.0397
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0463 0.4834
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0055 0.0055
Plasmodium falciparum flap endonuclease 1 0.0025 0.0488 0.54
Brugia malayi ImpB/MucB/SamB family protein 0.0076 0.2041 0.4596
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0018 0.0271 0.0594
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.0205 0.0949
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0991 0.4758
Echinococcus granulosus Chromobox protein 3 0.0011 0.0055 0.0104
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0055 0.0223
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.2074 1
Echinococcus multilocularis chromobox protein 2 0.0011 0.0055 0.0104
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.2074 1
Brugia malayi CHD4 protein 0.0011 0.0055 0.0104
Brugia malayi Protein cec-1. 0.0011 0.0055 0.0104
Treponema pallidum DNA ligase (lig) 0.001 0.0009 0.5
Plasmodium falciparum DNA repair protein REV1, putative 0.0016 0.0205 0.2209
Brugia malayi isocitrate dehydrogenase 0.0015 0.0185 0.0398
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0463 0.22
Loa Loa (eye worm) hypothetical protein 0.0048 0.1192 0.2676
Plasmodium vivax DNA repair protein REV1, putative 0.0016 0.0205 0.3184
Trichomonas vaginalis chromobox protein, putative 0.0011 0.0055 0.0223
Entamoeba histolytica hypothetical protein 0.0035 0.0782 0.0782
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0205 0.0949
Loa Loa (eye worm) hypothetical protein 0.0011 0.0055 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0536 0.255
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0011 0.0063 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.2074 1
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0055 0.0223
Schistosoma mansoni BC026374 protein (S09 family) 0.0011 0.0063 0.0251
Echinococcus granulosus para nitrobenzyl esterase 0.0011 0.0063 0.0122
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0873 0.4184
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0185 0.1985
Onchocerca volvulus 0.0011 0.0055 0.0484
Giardia lamblia DNA repair protein RAD52 0.0337 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0185 0.1931
Schistosoma mansoni hypothetical protein 0.0033 0.0726 0.2905
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0055 0.0223
Plasmodium vivax heterochromatin protein 1, putative 0.0011 0.0055 0.0748
Echinococcus granulosus chromobox protein 1 0.0068 0.1778 0.4002
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0011 0.0063 0.0251
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0055 0.0223
Brugia malayi Carboxylesterase family protein 0.0011 0.0063 0.0122
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0055 0.0104
Schistosoma mansoni DNA polymerase IV / kappa 0.0016 0.0205 0.0821
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.003 0.0625 1
Onchocerca volvulus 0.0011 0.0063 0.0565
Schistosoma mansoni gliotactin 0.0011 0.0063 0.0251
Onchocerca volvulus 0.0011 0.0063 0.0565
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0.0055 0.0575
Loa Loa (eye worm) hypothetical protein 0.0011 0.0055 0.0104
Trichomonas vaginalis hypothetical protein 0.0011 0.0055 0.0223
Trypanosoma brucei unspecified product 0.0036 0.08 0.3832
Trypanosoma brucei unspecified product 0.0071 0.1879 0.9055
Leishmania major DNA polymerase eta, putative 0.0076 0.2041 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0051 0.1287 0.1287
Trypanosoma brucei unspecified product 0.0036 0.08 0.3832
Loa Loa (eye worm) hypothetical protein 0.0042 0.0991 0.2222
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.2074 1
Echinococcus multilocularis chromobox protein 1 0.0068 0.1778 0.4002
Trichomonas vaginalis chromobox protein, putative 0.0011 0.0055 0.0223
Mycobacterium ulcerans DNA polymerase IV 0.0077 0.2074 1
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0488 0.1083
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0205 0.0949
Brugia malayi MH2 domain containing protein 0.0116 0.3249 0.7327
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0782 0.313
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0055 0.0223
Brugia malayi Carboxylesterase family protein 0.0067 0.1759 0.3958
Loa Loa (eye worm) carboxylesterase 0.0011 0.0063 0.0122
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0055 0.0055
Echinococcus granulosus flap endonuclease 1 0.0025 0.0488 0.1083
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.1778 0.4002
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0205 0.0949
Onchocerca volvulus 0.0011 0.0063 0.0565
Echinococcus granulosus carboxylesterase 5A 0.0067 0.1759 0.3958
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0434 0.0434
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0058 0.1483 0.6992
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0463 0.738
Echinococcus multilocularis muscleblind protein 1 0.0155 0.443 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0488 0.232
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0205 0.0949
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0184 0.0397
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0018 0.0271 0.0594
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0055 0.0223
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.2074 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0.0055 0.0104
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0782 0.1748
Brugia malayi hypothetical protein 0.0024 0.0463 0.1028
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.1759 0.7043
Brugia malayi chromobox protein homolog 3 0.0038 0.0873 0.1954
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.2074 1
Schistosoma mansoni chromobox protein 0.0068 0.1778 0.712
Echinococcus granulosus dna polymerase eta 0.0076 0.2041 0.4596
Entamoeba histolytica hypothetical protein 0.0035 0.0782 0.0782
Schistosoma mansoni neuroligin 3 (S09 family) 0.0011 0.0063 0.0251
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.2074 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0055 0.0221
Loa Loa (eye worm) RecQ helicase 0.0044 0.1059 0.2375
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.2074 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0051 0.1287 0.2892
Loa Loa (eye worm) hypothetical protein 0.003 0.0623 0.1389
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.0205 0.0949
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0434 0.206
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0488 0.232
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0009 0.0094
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0055 0.0221
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0039 0.0896 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0958 0.4598
Entamoeba histolytica hypothetical protein 0.0011 0.0055 0.0055
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0995 0.4777
Schistosoma mansoni blooms syndrome DNA helicase 0.0035 0.0777 0.311
Schistosoma mansoni hypothetical protein 0.0011 0.0055 0.0221
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0434 0.206
Schistosoma mansoni DNA polymerase eta 0.0076 0.2041 0.8171
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0271 0.0594
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0185 0.0398
Loa Loa (eye worm) hypothetical protein 0.0015 0.0184 0.0397
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1161 0.2605
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0122
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0185 0.0853
Echinococcus granulosus GPCR family 2 0.0015 0.0184 0.0397
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1192 0.2676
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0271 0.2832
Brugia malayi Carboxylesterase family protein 0.0011 0.0063 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0055 0.0223
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0488 0.0488
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0122
Schistosoma mansoni chromobox protein 0.0011 0.0055 0.0221
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0488 0.5092
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.2074 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1161 0.4648
Loa Loa (eye worm) hypothetical protein 0.0011 0.0055 0.0104
Leishmania major DNA damage repair protein, putative 0.0016 0.0205 0.0107
Brugia malayi hypothetical protein 0.0011 0.0055 0.0104
Brugia malayi Muscleblind-like protein 0.0155 0.443 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0018 0.0271 0.0594
Trypanosoma brucei DNA damage repair protein, putative 0.0016 0.0205 0.0949
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0961 0.4608
Loa Loa (eye worm) hypothetical protein 0.0024 0.0463 0.1028
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0185 0.0853
Schistosoma mansoni terminal deoxycytidyl transferase 0.0051 0.1287 0.5154
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0055 0.0223
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0055 0.0223
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0055 0.0223
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0184 0.0397
Onchocerca volvulus 0.0011 0.0055 0.0484
Trypanosoma brucei DNA polymerase eta, putative 0.0076 0.2041 0.984
Leishmania major DNA polymerase eta, putative 0.0041 0.0958 0.4167
Mycobacterium ulcerans hypothetical protein 0.0016 0.0205 0.0949
Entamoeba histolytica hypothetical protein 0.0035 0.0782 0.0782
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0463 0.5122
Loa Loa (eye worm) hypothetical protein 0.0011 0.0055 0.0104
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0185 0.0398
Schistosoma mansoni hypothetical protein 0.0015 0.0184 0.0738
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.3249 0.7327
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0055 0.0055
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0009 0.0009
Schistosoma mansoni acetylcholinesterase 0.0011 0.0063 0.0251
Loa Loa (eye worm) hypothetical protein 0.0091 0.2498 0.5629
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0185 0.0398
Schistosoma mansoni DNA helicase recq5 0.0018 0.0271 0.1087
Echinococcus granulosus acetylcholinesterase 0.0067 0.1759 0.3958
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0488 0.7781
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0055 0.0223
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0.0055 0.0104
Loa Loa (eye worm) hypothetical protein 0.0067 0.1759 0.3958
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0463 0.22
Schistosoma mansoni hypothetical protein 0.0015 0.0184 0.0738
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0055 0.0223
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0995 0.4777
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.0958 1
Echinococcus granulosus BC026374 protein S09 family 0.0011 0.0063 0.0122
Echinococcus multilocularis muscleblind protein 0.0155 0.443 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0991 0.4758
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1161 0.4648
Echinococcus granulosus chromobox protein 2 0.0011 0.0055 0.0104
Plasmodium falciparum heterochromatin protein 1 0.0011 0.0055 0.0519
Echinococcus multilocularis dna polymerase kappa 0.0077 0.2074 0.467
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0271 0.0594
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0185 0.0398
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0726 0.1621
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0185 0.0853
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0184 0.0397
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0536 0.255
Echinococcus granulosus bloom syndrome protein 0.0044 0.1059 0.2375
Brugia malayi Flap endonuclease-1 0.0025 0.0488 0.1083
Chlamydia trachomatis DNA ligase 0.001 0.0009 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0184 0.0397
Trypanosoma brucei chrX additional, unordered contigs 0.0016 0.0205 0.0949
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0185 0.0398
Entamoeba histolytica hypothetical protein 0.0096 0.2643 0.2643
Trypanosoma cruzi DNA damage repair protein, putative 0.0016 0.0205 0.0949
Schistosoma mansoni topbp1 0.001 0.0009 0.0036
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.2074 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1192 0.2676
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.3249 0.7327
Schistosoma mansoni eyes absent homolog 0.0091 0.2498 1
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0055 0.0223
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0.0055 0.0575
Schistosoma mansoni hypothetical protein 0.0035 0.0782 0.313
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0122
Brugia malayi Carboxylesterase family protein 0.0067 0.1759 0.3958
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1778 0.8569
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0055 0.0223
Brugia malayi polk-prov protein 0.0042 0.0991 0.2222
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0011 0.0063 0.0251
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1161 0.2605
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0022 0.04 0.4175
Entamoeba histolytica hypothetical protein 0.0035 0.0782 0.0782
Loa Loa (eye worm) hypothetical protein 0.0155 0.443 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0873 0.4184
Leishmania major DNA polymerase kappa, putative 0.0016 0.0205 0.0107
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1161 0.2605

Activities

Activity type Activity value Assay description Source Reference
clogP = 2.86 Calculated partition coefficient (clogP) ChEMBL. 10509916
Log 1/MIC (functional) = -1.1 In vitro antibacterial activity of the compound against the methicillin-resistant Staphylococcus aureus 88 ChEMBL. 10509916
MIC (functional) = 4 ug ml-1 In vitro antibacterial activity against Staphylococcus epidermis (S.e.1) ATCC 1228. ChEMBL. 10509915
MIC (functional) = 4 ug ml-1 In vitro antibacterial activity against Streptococcus pyogenes ATCC 8668 (S.p.1). ChEMBL. 10509915
MIC (functional) = 4 ug ml-1 In vitro antibacterial activity against Streptococcus pyogenes C6003 (S.p.2). ChEMBL. 10509915
MIC (functional) = 8 ug ml-1 In vitro antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA) C6068. ChEMBL. 10509915
MIC (functional) = 8 ug ml-1 In vitro antibacterial activity against Staphylococcus epidermis (S.e.2) C2235. ChEMBL. 10509915
MIC (functional) = 8 ug ml-1 In vitro antibacterial activity against Enterococcus faecium C6301 (E.f.2). ChEMBL. 10509915
MIC (functional) = 8 ug ml-1 In vitro antibacterial activity against vancomycin-resistant Enterococcus faecium C6487 (VRE). ChEMBL. 10509915
MIC (functional) = 12.5 ug ml-1 In vitro antibacterial activity against the methicillin-resistant Staphylococcus aureus 88 ChEMBL. 10509916
MIC (functional) = 16 ug ml-1 In vitro antibacterial activity against Enterococcus faecalis C6291 (E.f.1). ChEMBL. 10509915
MIC (functional) = 32 ug ml-1 In vitro antibacterial activity against Staphylococcus aureus (S. a.) ATCC 29213. ChEMBL. 10509915
MIC (functional) = 32 ug ml-1 In vitro antibacterial activity against ciprofloxacin-resistant Staphylococcus aureus (CRSA) C6043. ChEMBL. 10509915
MIC (functional) = 32 ug ml-1 In vitro antibacterial activity against methicillin-susceptible Staphylococcus aureus (MSSA) C2214. ChEMBL. 10509915

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

2 literature references were collected for this gene.

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