Detailed information for compound 1139804

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.093 | Formula: C24H46ClN3O4
  • H donors: 2 H acceptors: 0 LogP: 3.49 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCCN(CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)CCCN.Cl
  • InChi: 1S/C24H45N3O4.ClH/c1-17-7-8-20-18(2)21(10-16-27(15-6-13-26)14-5-4-12-25)28-22-24(20)19(17)9-11-23(3,29-22)30-31-24;/h17-22H,4-16,25-26H2,1-3H3;1H/t17-,18-,19+,20+,21-,22-,23-,24-;/m1./s1
  • InChiKey: VWTDCHZFKGNYKZ-UTFJDJNESA-N  


Substructure search Similarity search

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) latrophilin receptor protein 2 0.0047 0.0131 0.1258
Brugia malayi Nuclear hormone receptor family member nhr-25 0.000795291 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0033 0.1504
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0057 0.0172 1
Onchocerca volvulus 0.005 0.0143 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0033 0.1504
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0057 0.0172 1
Onchocerca volvulus Protein ultraspiracle homolog 0.000795291 1 0.5
Schistosoma mansoni hypothetical protein 0.0072 0.0233 0.1153
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0057 0.0172 1
Trypanosoma cruzi FHA domain containing protein, putative 0.002 0.0018 0.0673
Schistosoma mansoni survival motor neuron protein 0.0049 0.0139 0.0688
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.000795291 1 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0078 0.026 0.9122
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0313 0.0306
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0313 0.3142
Echinococcus multilocularis sentrin specific protease 1 0.0026 0.0042 0.0035
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0104
Brugia malayi DKFZp564C0469 protein 0.002 0.0018 0.0147
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0184 0.0878
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0078 0.026 0.261
Schistosoma mansoni hypothetical protein 0.0021 0.0022 0.0109
Echinococcus multilocularis protein patched 0.0084 0.0284 0.0277
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0452 0.4529
Brugia malayi TAR-binding protein 0.0255 0.0989 1
Brugia malayi MH2 domain containing protein 0.0125 0.0452 0.4552
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0007 0.0036
Echinococcus multilocularis thyroid hormone receptor alpha 0.000795291 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.003 0.0149
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.000795291 1 1
Entamoeba histolytica hypothetical protein 0.0072 0.0233 0.2956
Echinococcus multilocularis Niemann Pick C1 protein 0.028 0.1093 0.1086
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0026 0.0042 0.0208
Echinococcus granulosus sentrin specific protease 1 0.0026 0.0042 0.0172
Brugia malayi steroid hormone receptor 0.000795291 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0899
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.004 0.188
Brugia malayi Nuclear hormone receptor family member nhr-3 0.000795291 1 1
Trypanosoma cruzi SUMO1/Ulp2, putative 0.0026 0.0042 0.1612
Echinococcus granulosus FTZ F1 alpha 0.000795291 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.000795291 1 1
Brugia malayi hypothetical protein 0.002 0.0018 0.0147
Echinococcus granulosus survival motor neuron protein 1 0.024 0.0928 0.458
Brugia malayi Nuclear hormone receptor family member nhr-49 0.000795291 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0033 0.1504
Echinococcus granulosus ecdysone induced protein 78C 0.000795291 1 1
Echinococcus multilocularis FTZ F1 alpha 0.000795291 1 1
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.0018 0.0673
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0026 0.0042 0.2445
Loa Loa (eye worm) steroid hormone receptor 0.000795291 1 1
Echinococcus multilocularis replication factor c subunit 1 0.002 0.0018 0.001
Echinococcus multilocularis tar DNA binding protein 0.0255 0.0989 0.0983
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0033 1
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0131 0.1296
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.0928 0.0922
Loa Loa (eye worm) hypothetical protein 0.005 0.0143 0.1386
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.000795291 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.0172 0.5788
Schistosoma mansoni nuclear hormone receptor 0.000795291 1 1
Loa Loa (eye worm) hypothetical protein 0.000795291 1 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.055 0.5531
Schistosoma mansoni hypothetical protein 0.0081 0.0271 0.1344
Loa Loa (eye worm) hypothetical protein 0.000795291 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0233 0.0226
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0033 0.1504
Schistosoma mansoni hypothetical protein 0.0505 0.2019 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0033 0.0266
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0313 0.0306
Loa Loa (eye worm) hypothetical protein 0.0103 0.0362 0.3611
Loa Loa (eye worm) hypothetical protein 0.0084 0.0284 0.2816
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.004 0.1518
Loa Loa (eye worm) hypothetical protein 0.0041 0.0105 0.0999
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0033 0.1947
Schistosoma mansoni retinoic acid receptor RXR 0.000795291 1 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0078 0.026 0.3336
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.002 0.0018 0.0527
Schistosoma mansoni tar DNA-binding protein 0.0255 0.0989 0.49
Schistosoma mansoni chromosome transmission fidelity factor 0.002 0.0018 0.0087
Loa Loa (eye worm) hypothetical protein 0.000795291 1 1
Onchocerca volvulus 0.0026 0.0042 0.1942
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.055 0.555
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.0042 0.0395
Loa Loa (eye worm) hypothetical protein 0.000795291 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0007 0.0036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.000795291 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0057 0.0172 0.2117
Loa Loa (eye worm) hypothetical protein 0.0102 0.0356 0.3553
Echinococcus multilocularis zinc finger protein 0.002 0.0018 0.001
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.0172 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0104
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0159 0.0592 0.7895
Onchocerca volvulus 0.0049 0.0139 0.9647
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.000795291 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0057 0.0172 0.5788
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.002 0.0018 0.0147
Brugia malayi Nuclear hormone receptor family member nhr-41 0.000795291 1 1
Loa Loa (eye worm) hypothetical protein 0.000795291 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.000795291 1 1
Schistosoma mansoni hypothetical protein 0.0081 0.0271 0.1344
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0233 0.1153
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.000795291 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.000795291 1 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0033 0.0308
Treponema pallidum exodeoxyribonuclease (exoA) 0.0057 0.0172 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.0042 0.0336
Loa Loa (eye worm) hypothetical protein 0.000795291 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0104
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0033 0.1504
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0084 0.0284 0.2816
Loa Loa (eye worm) hypothetical protein 0.0047 0.0131 0.1258
Schistosoma mansoni hypothetical protein 0.0047 0.0131 0.0648
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0104
Schistosoma mansoni Tr4/Tr2 (homologue) 0.000795291 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0033 0.1504
Schistosoma mansoni tar DNA-binding protein 0.0255 0.0989 0.49
Echinococcus granulosus tumor protein p63 0.0342 0.1349 0.6671
Echinococcus granulosus expressed conserved protein 0.0133 0.0487 0.2385
Loa Loa (eye worm) hypothetical protein 0.0026 0.0042 0.0353
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0033 0.0308
Brugia malayi RNA recognition motif domain containing protein 0.0255 0.0989 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0033 0.1706
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0085 0.0389
Echinococcus granulosus GPCR family 2 0.0047 0.0131 0.0614
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0313 0.155
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0017
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.000795291 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0255 0.0989 1
Giardia lamblia Sentrin specific protease, putative 0.0026 0.0042 0.1586
Echinococcus multilocularis ecdysone induced protein 78C 0.000795291 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.055 0.555
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0026 0.0042 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.002 0.0018 0.000004739
Echinococcus granulosus retinoic acid receptor rxr beta a 0.000795291 1 1
Echinococcus granulosus Protein patched homolog 1 0.0084 0.0284 0.1375
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0057 0.0172 0.6591
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0313 0.155
Echinococcus multilocularis nibrin 0.002 0.0018 0.001
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0057 0.0172 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.000795291 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0033 0.0266
Loa Loa (eye worm) hypothetical protein 0.024 0.0928 0.9382
Entamoeba histolytica hypothetical protein 0.0072 0.0233 0.2956
Chlamydia trachomatis DNA ligase 0.002 0.0018 0.2595
Onchocerca volvulus 0.0023 0.0033 0.1263
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0313 0.155
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0026 0.0042 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.000795291 1 1
Trichomonas vaginalis sentrin/sumo-specific protease, senp8, putative 0.0026 0.0042 0.0918
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0007 0.0036
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0018 0.0673
Brugia malayi nuclear hormone receptor 0.000795291 1 1
Echinococcus multilocularis expressed conserved protein 0.0184 0.0696 0.069
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.004 0.2304
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.004 0.188
Brugia malayi Bromodomain containing protein 0.0038 0.0095 0.0935
Echinococcus granulosus sentrin specific protease 8 0.0078 0.026 0.1258
Trypanosoma cruzi cysteine peptidase, Clan CA, family C48, putative 0.0026 0.0042 0.1612
Brugia malayi Nuclear hormone receptor family member nhr-19 0.000795291 1 1
Echinococcus granulosus sterol regulatory element binding protein 0.0084 0.0284 0.1375
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.0042 0.0918
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0026 0.0042 0.1586
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.000795291 1 1
Schistosoma mansoni topbp1 0.002 0.0018 0.0087
Schistosoma mansoni steroid hormone receptor ad4bp 0.000795291 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.023 0.2264
Echinococcus granulosus sentrin specific protease 7 0.0159 0.0592 0.2909
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0033 0.0308
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.055 0.5531
Loa Loa (eye worm) hypothetical protein 0.0043 0.0113 0.108
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0104
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.003 0.0023
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.0018 0.1021
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0042 0.0918
Brugia malayi Nuclear hormone receptor-like 1 0.000795291 1 1
Brugia malayi Bromodomain containing protein 0.0075 0.0247 0.2477
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0057 0.0172 1
Schistosoma mansoni bromodomain containing protein 0.0064 0.0199 0.0985
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0017
Echinococcus multilocularis expressed conserved protein 0.0133 0.0487 0.048
Echinococcus multilocularis sterol regulatory element binding protein 0.0084 0.0284 0.0277
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0017
Echinococcus multilocularis sentrin specific protease 8 0.0078 0.026 0.0253
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.003 0.0113
Echinococcus multilocularis geminin 0.0505 0.2019 0.2013
Echinococcus granulosus replication factor c subunit 1 0.002 0.0018 0.0051
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0233 0.1121
Echinococcus granulosus nuclear receptor 2DBD gamma 0.000795291 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.000795291 1 1
Schistosoma mansoni hypothetical protein 0.0102 0.0356 0.1764
Brugia malayi Nuclear hormone receptor family member nhr-14 0.000795291 1 1
Brugia malayi nuclear receptor NHR-88 0.000795291 1 1
Schistosoma mansoni hypothetical protein 0.0049 0.0139 0.0688
Echinococcus multilocularis Niemann Pick C1 protein 0.0196 0.0746 0.0739
Schistosoma mansoni topbp1 0.002 0.0018 0.0087
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0199 0.0758 0.3755
Onchocerca volvulus Bile acid receptor homolog 0.000795291 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.000795291 1 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.0042 0.0336
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.001 0.0026
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0452 0.4529
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0057 0.0172 0.0164
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0033 0.1504
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0033 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0313 0.1519
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.0042 0.0395
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0078 0.026 0.129
Brugia malayi Steroid receptor seven-up type 2 0.000795291 1 1
Schistosoma mansoni DNA ligase IV 0.002 0.0018 0.0087
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.0042 0.0918
Trichomonas vaginalis Sentrin-specific protease, putative 0.0078 0.026 0.9122
Schistosoma mansoni tar DNA-binding protein 0.0255 0.0989 0.49
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0313 0.3112
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0033 0.1504
Brugia malayi RNA binding protein 0.0255 0.0989 1
Echinococcus granulosus Niemann Pick C1 protein 0.028 0.1093 0.5396
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0007 0.0036
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0313 0.1519
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.0356 0.3581
Trypanosoma brucei SUMO1/Ulp2, putative 0.0026 0.0042 0.2445
Plasmodium vivax sentrin-specific protease 1, putative 0.0026 0.0042 0.203
Onchocerca volvulus 0.000795291 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.000795291 1 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0033 0.0218
Loa Loa (eye worm) TAR-binding protein 0.0255 0.0989 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0057 0.0172 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.0042 0.0395
Echinococcus multilocularis GPCR, family 2 0.0047 0.0131 0.0124
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0085 0.0078
Echinococcus granulosus nibrin 0.002 0.0018 0.0051
Entamoeba histolytica hypothetical protein 0.0072 0.0233 0.2956
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.000795291 1 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.0042 0.0918
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0033 0.0218
Schistosoma mansoni retinoid-x-receptor (RXR) 0.000795291 1 1
Leishmania major hypothetical protein, conserved 0.0025 0.004 0.2304
Echinococcus granulosus tar DNA binding protein 0.0255 0.0989 0.4881
Toxoplasma gondii exonuclease III APE 0.0057 0.0172 1
Schistosoma mansoni ap endonuclease 0.0057 0.0172 0.085
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0196 0.0746 1
Schistosoma mansoni hypothetical protein 0.0047 0.0131 0.0648
Brugia malayi ecdysteroid receptor 0.000795291 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.000795291 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0104
Loa Loa (eye worm) hypothetical protein 0.0023 0.0033 0.0266
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0131 0.0614
Schistosoma mansoni RAR-like nuclear receptor 0.000795291 1 1
Brugia malayi hypothetical protein 0.002 0.0018 0.0147
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0057 0.0172 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.000795291 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.004 0.0329
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0131 0.1296
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.000795291 1 1
Schistosoma mansoni tar DNA-binding protein 0.0255 0.0989 0.49
Echinococcus granulosus zinc finger protein 0.002 0.0018 0.0052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.000795291 1 1
Plasmodium falciparum replication factor C subunit 1, putative 0.002 0.0018 0.0527
Loa Loa (eye worm) hypothetical protein 0.000795291 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0057 0.0172 0.1709
Schistosoma mansoni zinc finger protein 0.002 0.0018 0.0088
Schistosoma mansoni hypothetical protein 0.0505 0.2019 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0033 0.1947
Loa Loa (eye worm) hypothetical protein 0.0026 0.0042 0.0353
Loa Loa (eye worm) hypothetical protein 0.0196 0.0746 0.7519
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.004 0.188
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0018 0.0673
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.000795291 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0033 0.1947
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0009 0.0237
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0159 0.0592 0.2934
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.0042 0.0918
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0057 0.0172 0.1674
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0026 0.0042 0.0208
Schistosoma mansoni thyroid hormone receptor 0.000795291 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0057 0.0172 0.0817
Plasmodium vivax replication factor C subunit 1, putative 0.002 0.0018 0.0527
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.000795291 1 1
Schistosoma mansoni patched 1 0.0084 0.0284 0.1406
Schistosoma mansoni hypothetical protein 0.0081 0.0271 0.1344
Schistosoma mansoni hypothetical protein 0.0047 0.0131 0.0648
Trypanosoma cruzi hypothetical protein 0.0078 0.026 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.000795291 1 1
Schistosoma mansoni coup transcription factor 0.000795291 1 1
Echinococcus multilocularis sentrin specific protease 7 0.0159 0.0592 0.0585
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0139 0.1378
Echinococcus granulosus expressed conserved protein 0.0184 0.0696 0.3427
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0057 0.0172 0.6591
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0033 0.1706
Brugia malayi topoisomerase 0.002 0.0018 0.0147
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.000795291 1 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0196 0.0746 0.753
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0131 0.0124
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0143 0.071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.000795291 1 1
Schistosoma mansoni hypothetical protein 0.0047 0.0131 0.0648
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.000795291 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0284 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0078 0.026 0.9122
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0078 0.026 0.9122
Loa Loa (eye worm) Ulp1 protease 0.0026 0.0042 0.0353
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.0042 0.0918
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.000795291 1 0.5
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.0042 0.0336
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.004 0.1429
Brugia malayi CHE-14 protein 0.0084 0.0284 0.2847
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.0042 0.0336
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.0042 0.0918
Brugia malayi Nuclear hormone receptor family member nhr-1 0.000795291 1 1
Echinococcus granulosus geminin 0.0505 0.2019 1
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0026 0.0042 0.1586
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0131 0.0124
Brugia malayi hypothetical protein 0.0072 0.0233 0.2329
Plasmodium falciparum sentrin-specific protease 1 0.0026 0.0042 0.203
Brugia malayi hypothetical protein 0.0025 0.004 0.037
Loa Loa (eye worm) Ulp1 protease 0.0078 0.026 0.2578
Echinococcus granulosus Niemann Pick C1 protein 0.0196 0.0746 0.367
Schistosoma mansoni tar DNA-binding protein 0.0255 0.0989 0.49
Brugia malayi hypothetical protein 0.024 0.0928 0.9384
Loa Loa (eye worm) hypothetical protein 0.0026 0.0042 0.0353
Brugia malayi Pax transcription activation domain interacting protein 0.002 0.0018 0.0147
Schistosoma mansoni hypothetical protein 0.0081 0.0271 0.1344
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0022 0.0151
Echinococcus multilocularis tumor protein p63 0.0342 0.1349 0.1343
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.004 0.1518
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0131 0.0614
Echinococcus multilocularis protein dispatched 1 0.0096 0.0333 0.0326
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0033 0.0218
Loa Loa (eye worm) hypothetical protein 0.000795291 1 1
Loa Loa (eye worm) RNA binding protein 0.0255 0.0989 1
Brugia malayi PHD-finger family protein 0.0025 0.004 0.0373
Schistosoma mansoni thyroid hormone receptor 0.000795291 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.000795291 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0184 0.0177
Entamoeba histolytica hypothetical protein 0.0072 0.0233 0.2956
Schistosoma mansoni ap endonuclease 0.0057 0.0172 0.085
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.000795291 1 1
Plasmodium vivax sentrin-specific protease 2, putative 0.0026 0.0042 0.203
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0026 0.0042 0.1586
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0017

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 15.2 nM Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in human erythrocytes assessed as [3H]hypoxanthine incorporation after 24 hrs by liquid scintillation and luminescence counting ChEMBL. 20227283
IC50 (functional) > 100 uM Antitumor activity against human HL60 cells after 72 hrs by MTT assay ChEMBL. 20227283

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20227283

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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