Detailed information for compound 50885

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.362 | Formula: C18H18N4O
  • H donors: 0 H acceptors: 3 LogP: 1.99 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1c2cc3c(cc2C(C1=O)(C)C)nc(n3C)c1ccncc1
  • InChi: 1S/C18H18N4O/c1-18(2)12-9-13-15(10-14(12)22(4)17(18)23)21(3)16(20-13)11-5-7-19-8-6-11/h5-10H,1-4H3
  • InChiKey: XRUSWUPNRLPGJK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Echinococcus multilocularis lamin 0.0028 0.0784 0.113
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0225 0.0258
Onchocerca volvulus 0.0027 0.073 0.071
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1007 0.1452
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0015 0.0225 0.194
Echinococcus multilocularis protein patched 0.0045 0.147 0.212
Toxoplasma gondii EGF family domain-containing protein 0.0027 0.073 0.7252
Onchocerca volvulus Chorion peroxidase homolog 0.0084 0.3058 0.3043
Onchocerca volvulus Neurogenic locus notch homolog 0.0027 0.0736 0.0716
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0015 0.0225 0.1226
Echinococcus multilocularis neurogenic locus protein delta 0.0027 0.073 0.1053
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0015 0.0225 0.0258
Loa Loa (eye worm) hypothetical protein 0.0013 0.016 0.0184
Schistosoma mansoni potassium channel beta 0.001 0.0022 0.0031
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0015 0.0225 0.0325
Echinococcus granulosus neurogenic locus protein delta 0.0027 0.073 0.1053
Echinococcus granulosus Niemann Pick C1 protein 0.015 0.5782 0.8336
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0034 0.1007 0.1153
Loa Loa (eye worm) hypothetical protein 0.005 0.1682 0.1925
Schistosoma mansoni netrin receptor unc5 0.0015 0.024 0.0347
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0225 0.1226
Schistosoma mansoni hypothetical protein 0.0027 0.073 0.1053
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Echinococcus multilocularis aldo keto reductase 0.0034 0.1007 0.1452
Brugia malayi Animal haem peroxidase family protein 0.0084 0.3058 0.35
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.1682 0.4246
Trypanosoma cruzi aldo/keto reductase, putative 0.0034 0.1007 1
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0541 0.0521
Mycobacterium ulcerans hypothetical protein 0.005 0.1682 1
Schistosoma mansoni slit 0.0027 0.073 0.1053
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0112 0.0544
Schistosoma mansoni hypothetical protein 0.0027 0.073 0.1053
Plasmodium vivax SET domain protein, putative 0.0032 0.0927 0.7951
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0027 0.073 0.1053
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Plasmodium vivax acyl-CoA synthetase, putative 0.0038 0.116 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0225 0.1226
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0015 0.0225 0.1226
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.001 0.0022 0.0025
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0225 0.1226
Onchocerca volvulus Huntingtin homolog 0.0129 0.491 0.4899
Brugia malayi hypothetical protein 0.0017 0.0332 0.0381
Schistosoma mansoni notch 0.0027 0.073 0.1053
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.1682 0.4246
Giardia lamblia Aldose reductase 0.0034 0.1007 1
Schistosoma mansoni hypothetical protein 0.0054 0.1853 0.2671
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.0112 0.0091
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.1682 1
Onchocerca volvulus Slit protein homolog 0.0027 0.073 0.071
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1007 0.1452
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0015 0.0243 0.1941
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0879 0.1267
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.024 0.0347
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0015 0.0225 0.1226
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0078 0.2799 0.4036
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.147 0.212
Schistosoma mansoni pol-related 0.0034 0.1007 0.1452
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0027 0.073 0.071
Loa Loa (eye worm) oxidoreductase 0.0034 0.1007 0.1153
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0015 0.0225 0.1226
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Echinococcus granulosus Protein patched homolog 1 0.0045 0.147 0.212
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0225 0.0258
Loa Loa (eye worm) animal heme peroxidase 0.0084 0.3058 0.35
Brugia malayi EGF-like domain containing protein 0.0027 0.073 0.0836
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.1682 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0034 0.1007 0.0988
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0034 0.1007 0.5937
Echinococcus granulosus neurogenic locus notch protein 0.0027 0.073 0.1053
Schistosoma mansoni peroxidasin 0.0084 0.3058 0.4408
Echinococcus granulosus fatty acid binding protein FABP2 0.0037 0.1131 0.163
Echinococcus multilocularis voltage gated potassium channel subunit 0.001 0.0022 0.0031
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Loa Loa (eye worm) hypothetical protein 0.0032 0.0927 0.1061
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1007 0.1452
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0724 0.7185
Schistosoma mansoni hypothetical protein 0.0179 0.6936 1
Schistosoma mansoni notch 0.0027 0.0736 0.1061
Echinococcus granulosus aldo keto reductase 0.0034 0.1007 0.1452
Schistosoma mansoni septate junction protein 0.0027 0.073 0.1053
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Onchocerca volvulus 0.0027 0.073 0.071
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0015 0.0225 0.1226
Echinococcus multilocularis slit 2 protein 0.0027 0.073 0.1053
Echinococcus granulosus intermediate filament protein 0.0028 0.0784 0.113
Schistosoma mansoni hypothetical protein 0.0179 0.6936 1
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.1682 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0235 0.2336
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0225 0.2065
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0927 0.1337
Echinococcus granulosus protein jagged 1 0.0027 0.073 0.1053
Brugia malayi Peroxidasin 0.0084 0.3058 0.35
Schistosoma mansoni hypothetical protein 0.0044 0.1403 0.2023
Echinococcus granulosus nuclear factor of activated T cells 5 0.0078 0.2799 0.4036
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0182 0.0262
Echinococcus multilocularis neurogenic locus notch protein 0.0027 0.073 0.1053
Brugia malayi Calcium binding EGF domain containing protein 0.0027 0.073 0.0836
Brugia malayi hypothetical protein 0.0027 0.0724 0.0828
Echinococcus granulosus bloom syndrome protein 0.0022 0.0541 0.078
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.1682 0.4246
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0015 0.0225 0.2065
Trichomonas vaginalis aldo/keto reductase, putative 0.0034 0.1007 0.0988
Schistosoma mansoni hypothetical protein 0.0027 0.073 0.1053
Onchocerca volvulus 0.0027 0.073 0.071
Schistosoma mansoni intermediate filament proteins 0.0028 0.0784 0.113
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0013 0.0141 0.0719
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.3932 0.5669
Onchocerca volvulus Peroxidase homolog 0.0084 0.3058 0.3043
Echinococcus granulosus netrin receptor unc 5 0.0015 0.024 0.0347
Echinococcus multilocularis protein dispatched 1 0.0052 0.1732 0.2497
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.1682 1
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.147 0.212
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0429 0.3698
Loa Loa (eye worm) hypothetical protein 0.0018 0.0355 0.0406
Brugia malayi Animal haem peroxidase family protein 0.0084 0.3058 0.35
Brugia malayi Cadherin domain containing protein 0.0027 0.073 0.0836
Brugia malayi glutamate-cysteine ligase modifier subunit 0.001 0.0022 0.0025
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0724 0.6165
Echinococcus granulosus neurogenic locus notch protein 4 0.0027 0.073 0.1053
Brugia malayi EGF-like domain containing protein 0.0027 0.073 0.0836
Loa Loa (eye worm) oxidoreductase 0.0034 0.1007 0.1153
Brugia malayi Calcium binding EGF domain containing protein 0.0027 0.073 0.0836
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0112 0.0231
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Echinococcus granulosus neural cadherin 0.0027 0.073 0.1053
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0015 0.0225 0.1226
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.3932 0.5669
Leishmania major aldo-keto reductase-like protein 0.0034 0.1007 0.5937
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.1682 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.016 0.0184
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.1682 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0225 0.1226
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0541 0.0521
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.1682 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1682 0.1925
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1007 0.1452
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0015 0.0225 0.0325
Loa Loa (eye worm) animal heme peroxidase 0.0084 0.3058 0.35
Echinococcus multilocularis protein jagged 1 0.0027 0.073 0.1053
Brugia malayi Animal haem peroxidase family protein 0.0084 0.3058 0.35
Echinococcus multilocularis fibropellin Ia 0.0027 0.073 0.1053
Echinococcus granulosus lamin dm0 0.0028 0.0784 0.113
Echinococcus granulosus Ankyrin 0.0015 0.0246 0.0354
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Brugia malayi EGF-like domain containing protein 0.0027 0.073 0.0836
Leishmania major acetyl-CoA synthetase, putative 0.0015 0.0225 0.1226
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Brugia malayi Death domain containing protein 0.0015 0.024 0.0275
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0225 0.1226
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0225 0.0258
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0784 0.0898
Brugia malayi notch-like transmembrane receptor 0.0027 0.073 0.0836
Mycobacterium ulcerans acetyl-CoA synthetase 0.0015 0.0225 0.1226
Loa Loa (eye worm) Notch2 0.0027 0.073 0.0836
Schistosoma mansoni lamin 0.0028 0.0784 0.113
Loa Loa (eye worm) RecQ helicase 0.0022 0.0541 0.0619
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0037 0.1131 0.1295
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.024 0.0347
Echinococcus multilocularis lamin dm0 0.0028 0.0784 0.113
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0037 0.1131 0.1295
Schistosoma mansoni peroxidasin 0.0084 0.3058 0.4408
Brugia malayi hypothetical protein 0.0129 0.491 0.562
Echinococcus granulosus protein jagged 2 0.0027 0.073 0.1053
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0784 0.0898
Onchocerca volvulus 0.0015 0.0225 0.0204
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.1682 1
Entamoeba histolytica aldose reductase, putative 0.0034 0.1007 0.2521
Toxoplasma gondii aldo-keto reductase 0.001 0.0022 0.0214
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0724 0.6236
Brugia malayi GCC2 and GCC3 family protein 0.0027 0.073 0.0836
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0112 0.0916
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0225 0.1226
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0724 0.6236
Toxoplasma gondii propionate-CoA ligase 0.0015 0.0225 0.2235
Schistosoma mansoni laminin gamma-3 chain 0.0027 0.073 0.1053
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.3932 1
Onchocerca volvulus 0.0034 0.1007 0.0988
Echinococcus multilocularis aldo keto reductase 0.0034 0.1007 0.1452
Onchocerca volvulus 0.0034 0.1007 0.0988
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Brugia malayi Calcium binding EGF domain containing protein 0.0027 0.073 0.0836
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.024 0.0347
Trichomonas vaginalis set domain proteins, putative 0.0253 0.9995 1
Echinococcus multilocularis protein jagged 2 0.0027 0.073 0.1053
Brugia malayi Protein kinase domain containing protein 0.0015 0.024 0.0275
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Echinococcus multilocularis neurogenic locus notch protein 4 0.0027 0.073 0.1053
Brugia malayi intermediate filament protein 0.0028 0.0784 0.0898
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0225 0.1226
Echinococcus multilocularis fatty acid binding protein FABP2 0.0037 0.1131 0.163
Schistosoma mansoni notch 0.0027 0.073 0.1053
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Schistosoma mansoni acetyl-CoA synthetase 0.0015 0.0225 0.0325
Onchocerca volvulus Putative cubilin 0.0027 0.073 0.071
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0225 0.0258
Echinococcus multilocularis musashi 0.0028 0.0784 0.113
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.001 0.0022 0.0214
Echinococcus multilocularis neural cadherin 0.0027 0.073 0.1053
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1007 0.1452
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0724 0.7124
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0015 0.0225 0.2235
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.1682 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Loa Loa (eye worm) hypothetical protein 0.0015 0.024 0.0275
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0015 0.0225 0.1226
Onchocerca volvulus Peroxidasin homolog 0.0084 0.3058 0.3043
Loa Loa (eye worm) notch protein 0.0027 0.073 0.0836
Schistosoma mansoni hypothetical protein 0.0012 0.0115 0.0166
Toxoplasma gondii aldose reductase, putative 0.0034 0.1007 1
Schistosoma mansoni lamin 0.0028 0.0784 0.113
Onchocerca volvulus 0.0034 0.1007 0.0988
Echinococcus granulosus expressed conserved protein 0.0099 0.367 0.5292
Schistosoma mansoni hypothetical protein 0.0044 0.1403 0.2023
Loa Loa (eye worm) hypothetical protein 0.0015 0.0225 0.0258
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Loa Loa (eye worm) hypothetical protein 0.0015 0.0225 0.0258
Schistosoma mansoni notch 0.0027 0.073 0.1053
Echinococcus multilocularis aldehyde reductase 0.0024 0.0605 0.0873
Loa Loa (eye worm) hypothetical protein 0.0028 0.0784 0.0898
Loa Loa (eye worm) blistered cuticle protein 3 0.0084 0.3058 0.35
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1007 0.1452
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0927 0.1337
Brugia malayi Blistered cuticle protein 3 0.0084 0.3058 0.35
Schistosoma mansoni hypothetical protein 0.0027 0.073 0.1053
Brugia malayi Delta serrate ligand family protein 0.0027 0.073 0.0836
Onchocerca volvulus 0.0015 0.0225 0.0204
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0034 0.1007 0.1153
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Onchocerca volvulus 0.0084 0.3058 0.3043
Echinococcus granulosus notch 0.0027 0.073 0.1053
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.116 0.686
Onchocerca volvulus 0.0034 0.1007 0.0988
Loa Loa (eye worm) hypothetical protein 0.0014 0.0182 0.0208
Echinococcus granulosus aldehyde reductase 0.0024 0.0605 0.0873
Loa Loa (eye worm) hypothetical protein 0.0055 0.1887 0.216
Echinococcus granulosus fibropellin Ia 0.0027 0.073 0.1053
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0225 0.2065
Giardia lamblia High cysteine protein 0.0027 0.073 0.7252
Trichomonas vaginalis aldo/keto reductase, putative 0.0034 0.1007 0.0988
Schistosoma mansoni aldo-keto reductase 0.0034 0.1007 0.1452
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1007 0.1452
Loa Loa (eye worm) hypothetical protein 0.0129 0.491 0.562
Brugia malayi Animal haem peroxidase family protein 0.0084 0.3058 0.35
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0724 0.7124
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.1682 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0034 0.1007 0.1153
Echinococcus granulosus peroxidasin 0.0084 0.3058 0.4408
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0015 0.0225 0.1226
Onchocerca volvulus 0.0034 0.1007 0.0988
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Onchocerca volvulus 0.0028 0.0784 0.0764
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0015 0.0225 0.1226
Loa Loa (eye worm) oxidoreductase 0.0034 0.1007 0.1153
Onchocerca volvulus 0.0034 0.1007 0.0988
Brugia malayi AMP-binding enzyme family protein 0.005 0.1682 0.1925
Echinococcus granulosus geminin 0.0179 0.6936 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0225 0.1226
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.1076 0.6353
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0115 0.0166
Brugia malayi EGF-like domain containing protein 0.0027 0.073 0.0836
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0015 0.0225 0.0521
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0225 0.1226
Loa Loa (eye worm) oxidoreductase 0.0015 0.0225 0.0258
Brugia malayi hypothetical protein 0.0084 0.3058 0.35
Brugia malayi EGF-like domain containing protein 0.0027 0.073 0.0836
Leishmania major acetyl-CoA synthetase, putative 0.0015 0.0225 0.1226
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0034 0.1007 0.5937
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0347 0.0501
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.024 0.0275
Leishmania major hypothetical protein, conserved 0.0027 0.0724 0.4229
Onchocerca volvulus 0.0015 0.0225 0.0204
Echinococcus multilocularis notch 0.0027 0.073 0.1053
Brugia malayi Muscle positioning protein 4 0.0027 0.073 0.0836
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0027 0.073 0.0836
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0015 0.0225 0.1226
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0015 0.0225 0.1226
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0246 0.0354
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0015 0.0225 0.1226
Schistosoma mansoni hypothetical protein 0.0044 0.1403 0.2023
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.1076 0.6353
Schistosoma mansoni cell polarity protein 0.0027 0.073 0.1053
Echinococcus multilocularis fatty acid binding protein FABP2 0.0037 0.1131 0.163
Loa Loa (eye worm) animal heme peroxidase 0.0084 0.3058 0.35
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.1682 1
Onchocerca volvulus Dual oxidase homolog 0.0084 0.3058 0.3043
Brugia malayi NADH-dependent xylose reductase 0.001 0.0022 0.0025
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0015 0.0225 0.1226
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0038 0.116 0.5
Schistosoma mansoni hypothetical protein 0.0027 0.073 0.1053
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0038 0.116 0.686
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0115 0.0166
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0927 0.1337
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0927 0.1337
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.147 0.1683
Onchocerca volvulus Peroxidasin homolog 0.0084 0.3058 0.3043
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0724 0.7124
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1007 0.1452
Loa Loa (eye worm) oxidoreductase 0.0034 0.1007 0.1153
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0225 0.1226
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0927 0.1337
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0225 0.2065
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0927 0.9206
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Brugia malayi AMP-binding enzyme family protein 0.005 0.1682 0.1925
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Loa Loa (eye worm) animal heme peroxidase 0.0084 0.3058 0.35
Onchocerca volvulus 0.0084 0.3058 0.3043
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Loa Loa (eye worm) hypothetical protein 0.005 0.1682 0.1925
Schistosoma mansoni fatty acid binding protein 0.0037 0.1131 0.163
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0034 0.1007 0.0988
Brugia malayi EGF-like domain containing protein 0.0027 0.073 0.0836
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Brugia malayi Cadherin domain containing protein 0.0027 0.073 0.0836
Brugia malayi AMP-binding enzyme family protein 0.005 0.1682 0.1925
Mycobacterium ulcerans oxidoreductase 0.0034 0.1007 0.5937
Loa Loa (eye worm) hypothetical protein 0.0105 0.3932 0.4501
Schistosoma mansoni hypothetical protein 0.0044 0.1403 0.2023
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Echinococcus multilocularis Ankyrin 0.0015 0.0246 0.0354
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0034 0.1007 0.0988
Echinococcus granulosus aldo keto reductase 0.0034 0.1007 0.1452
Schistosoma mansoni fatty acid binding protein 0.0037 0.1131 0.163
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0015 0.0225 0.1226
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0034 0.1007 0.1452
Trypanosoma brucei aldo-keto reductase, putative 0.0034 0.1007 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.1076 0.6353
Loa Loa (eye worm) hypothetical protein 0.0038 0.116 0.1328
Plasmodium falciparum aldehyde reductase, putative 0.001 0.0022 0.0186
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.3932 0.4501
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0225 0.0204
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.1682 1
Loa Loa (eye worm) oxidoreductase 0.0034 0.1007 0.1153
Trypanosoma brucei prostaglandin f synthase 0.0034 0.1007 1
Brugia malayi Pre-SET motif family protein 0.0032 0.0927 0.1061
Plasmodium vivax acetyl-CoA synthetase, putative 0.0015 0.0225 0.1787
Loa Loa (eye worm) hypothetical protein 0.0015 0.0246 0.0281
Echinococcus multilocularis protein jagged 1 0.0027 0.073 0.1053
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0927 0.1337
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0225 0.0258
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Loa Loa (eye worm) hypothetical protein 0.0129 0.491 0.562
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0225 0.1226
Echinococcus granulosus lamin 0.0028 0.0784 0.113
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0015 0.0225 0.2065
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0015 0.0225 0.1226
Echinococcus granulosus neurogenic locus notch protein 0.0027 0.073 0.1053
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0034 0.1007 0.0988
Schistosoma mansoni notch 0.0027 0.073 0.1053
Onchocerca volvulus 0.0027 0.073 0.071
Entamoeba histolytica aldose reductase, putative 0.0034 0.1007 0.2521
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Loa Loa (eye worm) hypothetical protein 0.0038 0.116 0.1328
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0015 0.0225 0.2065
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0541 0.078
Loa Loa (eye worm) hypothetical protein 0.0038 0.116 0.1328
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0015 0.0225 0.2235
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0015 0.0225 0.1226
Mycobacterium leprae Conserved hypothetical protein 0.0024 0.0605 0.3516
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Schistosoma mansoni notch 0.0027 0.073 0.1053
Trypanosoma cruzi aldo-keto reductase 0.0034 0.1007 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0015 0.0225 0.1226
Giardia lamblia Aldose reductase 0.0034 0.1007 1
Schistosoma mansoni hypothetical protein 0.0027 0.073 0.1053
Schistosoma mansoni hypothetical protein 0.0015 0.024 0.0347
Brugia malayi EGF-like domain containing protein 0.0027 0.073 0.0836
Onchocerca volvulus 0.0027 0.073 0.071
Echinococcus granulosus death domain containing protein 0.0015 0.024 0.0347
Loa Loa (eye worm) hypothetical protein 0.0034 0.1007 0.1153
Brugia malayi Animal haem peroxidase family protein 0.0084 0.3058 0.35
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0015 0.0225 0.1226
Brugia malayi CHE-14 protein 0.0045 0.147 0.1683
Echinococcus granulosus aldo keto reductase 0.0034 0.1007 0.1452
Echinococcus multilocularis aldo keto reductase 0.0034 0.1007 0.1452
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Loa Loa (eye worm) hypothetical protein 0.0038 0.116 0.1328
Entamoeba histolytica aldose reductase, putative 0.0034 0.1007 0.2521
Echinococcus multilocularis geminin 0.0179 0.6936 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.001 0.0022 0.0214
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0225 0.0258
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.024 0.0347
Echinococcus multilocularis neurogenic locus protein delta 0.0027 0.073 0.1053
Onchocerca volvulus Peroxidase homolog 0.0084 0.3058 0.3043
Echinococcus multilocularis neurogenic locus notch protein 0.0027 0.073 0.1053
Loa Loa (eye worm) hypothetical protein 0.0028 0.0763 0.0873
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.1682 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0784 0.0898
Echinococcus granulosus delta-like protein 1 0.0027 0.073 0.1053
Schistosoma mansoni hypothetical protein 0.0027 0.073 0.1053
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0015 0.0225 0.1226
Onchocerca volvulus 0.0084 0.3058 0.3043
Echinococcus granulosus protein jagged 2 0.0027 0.073 0.1053
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0243 0.0279
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.1682 1
Echinococcus granulosus protein jagged 1 0.0027 0.073 0.1053
Loa Loa (eye worm) hypothetical protein 0.0027 0.0724 0.0828
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.3999 0.5765
Echinococcus multilocularis Niemann Pick C1 protein 0.015 0.5782 0.8336
Onchocerca volvulus 0.0015 0.0225 0.0204
Echinococcus granulosus slit 2 protein 0.0027 0.073 0.1053
Plasmodium falciparum acyl-CoA synthetase 0.0038 0.116 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0243 0.0279
Loa Loa (eye worm) hypothetical protein 0.0084 0.3058 0.35
Echinococcus multilocularis fat cadherin tumor suppressor 0.0027 0.073 0.1053
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0112 0.0916
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0015 0.0225 0.1226
Schistosoma mansoni patched 1 0.0045 0.147 0.212
Echinococcus granulosus fatty acid binding protein FABP2 0.0037 0.1131 0.163
Brugia malayi Pre-SET motif family protein 0.0222 0.8735 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0034 0.1007 0.5937
Loa Loa (eye worm) hypothetical protein 0.0045 0.147 0.1683
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.1076 0.6353
Onchocerca volvulus Netrin receptor homolog 0.0015 0.024 0.0219
Echinococcus granulosus voltage gated potassium channel subunit 0.001 0.0022 0.0031
Echinococcus granulosus aldo keto reductase family 1, member B4 0.001 0.0022 0.0031
Trichomonas vaginalis aldo-keto reductase, putative 0.0034 0.1007 0.0988
Echinococcus multilocularis expressed conserved protein 0.0099 0.367 0.5292
Loa Loa (eye worm) hypothetical protein 0.0027 0.073 0.0836
Plasmodium falciparum aldo-keto reductase, putative 0.001 0.0022 0.0186
Onchocerca volvulus 0.005 0.1682 0.1664
Loa Loa (eye worm) hypothetical protein 0.0038 0.116 0.1328
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0182 0.0262
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.8735 1
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0541 0.0619
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.024 0.0275
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.147 0.1453
Mycobacterium tuberculosis Probable oxidoreductase 0.0034 0.1007 0.5937
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0034 0.1007 0.1153
Onchocerca volvulus 0.0028 0.0784 0.0764
Echinococcus granulosus hypothetical protein 0.0034 0.1007 0.1452
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0927 0.1337
Schistosoma mansoni aldo-keto reductase 0.0034 0.1007 0.1452
Onchocerca volvulus 0.0032 0.0927 0.0908
Leishmania major prostaglandin f synthase, putative 0.0034 0.1007 0.5937
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0034 0.1007 0.1452
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0225 0.0204
Echinococcus multilocularis peroxidasin 0.0084 0.3058 0.4408
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0225 0.0258
Brugia malayi Uncoordinated protein 44 0.0015 0.024 0.0275
Echinococcus multilocularis aldo keto reductase 0.0034 0.1007 0.1452
Onchocerca volvulus Huntingtin homolog 0.0129 0.491 0.4899

Activities

Activity type Activity value Assay description Source Reference
ED1.5 (functional) NT 0 mg kg-1 Effective dose required to produce an increase in dP/dt5 by 1500 mmHg/s in cats;NT means not tested. ChEMBL. 2544724
ED1.5 (functional) NT 0 mg kg-1 Effective dose required to produce an increase in dP/dt5 by 1500 mmHg/s in dogs;NT means not tested. ChEMBL. 2544724
ED1.5 (functional) > 3 mg kg-1 Effective dose required to produce an increase in dP/dt5 by 1500 mmHg/s in rats ChEMBL. 2544724
Max (functional) NO 0 mmHg s-1 Maximum increase in dP/dt when administered intravenously in rats. ChEMBL. 2544724
Max (functional) ND 0 mmHg s-1 Maximum increase in dP/dt when administered intravenously in cats. ChEMBL. 2544724
Max (functional) ND 0 mmHg s-1 Maximum increase in dP/dt when administered intravenously in dogs; ND means no data. ChEMBL. 2544724

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

1 literature reference was collected for this gene.

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