Detailed information for compound 112026

Basic information

Technical information
  • TDR Targets ID: 112026
  • Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[ (2S)-2-[[(2S)-2-acetamido-3-(3-fluorophenyl)p ropanoyl]amino]-5-(diaminomethylideneamino)pe ntanoyl]amino]propanoyl]amino]-4-methylsulfan ylbutanoyl]amino]propanoyl]amino]-3-hydroxypr opanoyl]amino]-4-methylpentanamide
  • MW: 854.004 | Formula: C37H60FN11O9S
  • H donors: 11 H acceptors: 9 LogP: -1.23 Rotable bonds: 33
    Rule of 5 violations (Lipinski): 3
  • SMILES: CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CO)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(c1)F)NC(=O)C)CCCN=C(N)N)C
  • InChi: 1S/C37H60FN11O9S/c1-19(2)15-27(30(39)52)48-36(58)29(18-50)49-32(54)21(4)44-34(56)26(12-14-59-6)46-31(53)20(3)43-33(55)25(11-8-13-42-37(40)41)47-35(57)28(45-22(5)51)17-23-9-7-10-24(38)16-23/h7,9-10,16,19-21,25-29,50H,8,11-15,17-18H2,1-6H3,(H2,39,52)(H,43,55)(H,44,56)(H,45,51)(H,46,53)(H,47,57)(H,48,58)(H,49,54)(H4,40,41,42)/t20-,21-,25-,26-,27-,28-,29-/m0/s1
  • InChiKey: HTSOVCREQRXHOL-DNYGYILZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanamide
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(3-fluorophenyl)-1-oxopropyl]amino]-5-guanidino-1-oxopentyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methylpentanamide
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanamide
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeramide
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanamide

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
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0164 0.0205
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.0025 0.0328 0.0328
Loa Loa (eye worm) ctsf protein 0.0018 0.0158 0.0158
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Echinococcus multilocularis glycine receptor subunit beta 0.0064 0.1291 0.1611
Echinococcus multilocularis neuropeptide receptor A26 0.034 0.8016 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0064 0.1291 0.1291
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0035 0.0565 0.0957
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0012
Onchocerca volvulus 0.003 0.0443 0.337
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0064 0.1291 0.1611
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0014 0.0054 0.0068
Trichomonas vaginalis ap endonuclease, putative 0.0014 0.0054 0.0167
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0253 0.5902 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0164 0.0278
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0158 0.0618
Onchocerca volvulus 0.0035 0.0565 0.4323
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0164 0.0278
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.003 0.0443 0.0443
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0035 0.0565 0.0957
Loa Loa (eye worm) hypothetical protein 0.0018 0.0164 0.0164
Schistosoma mansoni acetylcholine receptor subunit beta 0.003 0.0443 0.1737
Echinococcus granulosus cell division control protein 45 0.0116 0.2551 0.3182
Brugia malayi Cathepsin L-like precursor 0.0012 0.0012 0.002
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0164 0.0205
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0158 0.0574
Loa Loa (eye worm) hypothetical protein 0.0018 0.0164 0.0164
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0064 0.1291 0.1611
Schistosoma mansoni nAChR subunit 0.0064 0.1291 0.5061
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0035 0.0565 0.2214
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0064 0.1291 0.1611
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1396 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0064 0.1291 0.2187
Schistosoma mansoni nAChR subunit 0.0064 0.1291 0.5061
Schistosoma mansoni hypothetical protein 0.0025 0.0328 0.1288
Onchocerca volvulus Putative nachr subunit 0.0064 0.1291 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0164 0.0278
Brugia malayi hypothetical protein 0.0116 0.2551 0.4322
Trichomonas vaginalis cdc25b, putative 0.0063 0.1267 0.4943
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0064 0.1291 0.2187
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0063 0.1267 0.4967
Onchocerca volvulus 0.0064 0.1291 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0158 0.356
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0158 0.0574
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0164 0.0205
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0037 0.0612 0.0612
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.0164 0.0644
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0064 0.1291 0.5061
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0014 0.0054 0.0068
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0064 0.1291 0.1611
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0158 0.0197
Schistosoma mansoni nAChR subunit 0.003 0.0443 0.1737
Brugia malayi nuclear hormone receptor 0.0018 0.0164 0.0278
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.0164 0.0644
Brugia malayi hypothetical protein 0.003 0.0443 0.0751
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.003 0.0443 0.0751
Plasmodium vivax vivapain-2 0.0018 0.0158 0.356
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0158 0.0574
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0158 0.0197
Schistosoma mansoni nAChR subunit 0.0064 0.1291 0.5061
Loa Loa (eye worm) hypothetical protein 0.0018 0.0164 0.0164
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0158 0.0158
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0064 0.1291 0.5061
Echinococcus multilocularis nAChR subunit 0.0064 0.1291 0.1611
Loa Loa (eye worm) hypothetical protein 0.0018 0.0158 0.0158
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0018 0.0164 0.1191
Loa Loa (eye worm) hypothetical protein 0.0018 0.0164 0.0164
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0164 0.0205
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0164 0.0278
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Echinococcus granulosus neuropeptide receptor A26 0.034 0.8016 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0158 0.356
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0064 0.1291 0.2187
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0064 0.1291 0.1611
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0063 0.1267 0.4943
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0064 0.1291 0.2187
Echinococcus granulosus glycine receptor subunit beta 0.0064 0.1291 0.1611
Loa Loa (eye worm) hypothetical protein 0.0116 0.2551 0.2551
Brugia malayi cathepsin L-like precursor 0.0012 0.0012 0.002
Leishmania major cathepsin L-like protease 0.0069 0.1396 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0158 0.0267
Echinococcus multilocularis glycine receptor subunit beta 0.0064 0.1291 0.1611
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0012
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.0164 0.0644
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0064 0.1291 0.1611
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Brugia malayi hypothetical protein 0.003 0.0443 0.0751
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0064 0.1291 0.5061
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0014 0.0054 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0158 0.0574
Brugia malayi Cathepsin L-like precursor 0.0018 0.0158 0.0267
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0158 0.0197
Echinococcus multilocularis neuropeptide s receptor 0.034 0.8016 1
Toxoplasma gondii aldehyde dehydrogenase 0.0045 0.0807 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.003 0.0443 0.0553
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Brugia malayi exodeoxyribonuclease III family protein 0.0014 0.0054 0.0092
Onchocerca volvulus 0.0063 0.1267 0.9812
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0064 0.1291 0.2187
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0158 0.0197
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Schistosoma mansoni neurotransmitter gated ion channel 0.0035 0.0565 0.2214
Echinococcus granulosus glycine receptor subunit beta 0.0064 0.1291 0.1611
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0158 0.0574
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0164 0.0205
Schistosoma mansoni neurotransmitter gated ion channel 0.003 0.0443 0.1737
Schistosoma mansoni transcription factor btf3 0.0026 0.0344 0.135
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0064 0.1291 0.2187
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0158 0.1139
Loa Loa (eye worm) ACC-1 protein 0.0064 0.1291 0.1291
Entamoeba histolytica rodhanase-like domain containing protein 0.0063 0.1267 0.4943
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Onchocerca volvulus 0.0018 0.0158 0.1139
Trichomonas vaginalis cdc25c, putative 0.0063 0.1267 0.4943
Loa Loa (eye worm) hypothetical protein 0.0018 0.0164 0.0164
Plasmodium falciparum basic transcription factor 3b, putative 0.0026 0.0344 1
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0344 0.1309
Loa Loa (eye worm) acetylcholine receptor protein 0.003 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0018 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0063 0.1267 0.1267
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0164 0.0278
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.003 0.0443 0.0751
Brugia malayi Rhodanese-like domain containing protein 0.0063 0.1267 0.2147
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0164 0.0278
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Onchocerca volvulus 0.0018 0.0158 0.1139
Schistosoma mansoni coup transcription factor 0.0018 0.0164 0.0644
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Leishmania major basic transcription factor 3a, putative 0.0026 0.0344 0.2161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0164 0.0164
Onchocerca volvulus 0.0064 0.1291 1
Brugia malayi hypothetical protein 0.003 0.0443 0.0751
Loa Loa (eye worm) hypothetical protein 0.0253 0.5902 0.5902
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0064 0.1291 0.1611
Echinococcus granulosus nAChR subunit 0.0064 0.1291 0.1611
Onchocerca volvulus 0.003 0.0443 0.337
Leishmania major cathepsin L-like protease 0.0018 0.0158 0.0769
Onchocerca volvulus Bile acid receptor homolog 0.0018 0.0164 0.1191
Onchocerca volvulus 0.0018 0.0164 0.1191
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0164 0.0164
Onchocerca volvulus 0.0063 0.1267 0.9812
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.0164 0.0644
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0037 0.0612 0.1036
Trypanosoma cruzi transcription factor btf3, putative 0.0026 0.0344 0.2161
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0035 0.0565 0.0957
Onchocerca volvulus 0.0064 0.1291 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Schistosoma mansoni ap endonuclease 0.0014 0.0054 0.0213
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0064 0.1291 0.2187
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0063 0.1267 0.4943
Loa Loa (eye worm) LGC-31 protein 0.0064 0.1291 0.1291
Loa Loa (eye worm) ACC-1 protein 0.0064 0.1291 0.1291
Toxoplasma gondii NAC domain-containing protein 0.0026 0.0344 0.3855
Leishmania major cathepsin L-like protease 0.0018 0.0158 0.0769
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Loa Loa (eye worm) ICD-1 protein 0.0026 0.0344 0.0344
Trypanosoma cruzi transcription factor btf3, putative 0.0026 0.0344 0.2161
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.1037 0.7321
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Brugia malayi Cathepsin L-like precursor 0.0018 0.0158 0.0267
Schistosoma mansoni nAChR subunit 0.0064 0.1291 0.5061
Leishmania major cathepsin L-like protease 0.0069 0.1396 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0158 0.0574
Trypanosoma brucei Cell division cycle 45 0.0036 0.0588 0.3979
Schistosoma mansoni acetylcholine receptor-related 0.003 0.0443 0.1737
Echinococcus granulosus transcription factor btf3 0.0026 0.0344 0.043
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Echinococcus granulosus nAChR subunit 0.0035 0.0565 0.0705
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0064 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0064 0.1291 0.1611
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0064 0.1291 0.1611
Loa Loa (eye worm) hypothetical protein 0.0224 0.5176 0.5176
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0158 0.0574
Entamoeba histolytica cysteine protease, putative 0.0018 0.0158 0.0574
Trypanosoma cruzi cell division cycle protein 45 (CDC45), putative 0.0036 0.0588 0.3979
Brugia malayi Cation transporter family protein 0.0064 0.1291 0.2187
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Onchocerca volvulus 0.0035 0.0565 0.4323
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.003 0.0443 0.0443
Onchocerca volvulus 0.0018 0.0158 0.1139
Schistosoma mansoni nAChR subunit 0.0064 0.1291 0.5061
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.003 0.0443 0.0553
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0164 0.0644
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0035 0.0565 0.0957
Onchocerca volvulus 0.0018 0.0158 0.1139
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0064 0.1291 0.5061
Brugia malayi Cation transporter family protein 0.0064 0.1291 0.2187
Leishmania major cathepsin L-like protease 0.0069 0.1396 1
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0158 0.0618
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0164 0.0164
Onchocerca volvulus 0.0063 0.1267 0.9812
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0014 0.0054 0.0167
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0158 0.0769
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0164 0.0278
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0164 0.0205
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0164 0.0205
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0064 0.1291 0.2187
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0164 0.0205
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.2551 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0064 0.1291 0.1611
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0164 0.0278
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0064 0.1291 0.5061
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1396 1
Onchocerca volvulus 0.0063 0.1267 0.9812
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0064 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0064 0.1291 0.2187
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0064 0.1291 0.1611
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0443 0.0751
Onchocerca volvulus 0.0064 0.1291 1
Plasmodium vivax vivapain-2 0.0018 0.0158 0.356
Brugia malayi Cation transporter family protein 0.0064 0.1291 0.2187
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.0164 0.0644
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0164 0.0205
Echinococcus granulosus cathepsin l1 0.0018 0.0158 0.0197
Onchocerca volvulus 0.003 0.0443 0.337
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0064 0.1291 0.1611
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.0164 0.0644
Echinococcus granulosus glycine receptor subunit alpha 1 0.0064 0.1291 0.1611
Brugia malayi Cathepsin L-like precursor 0.0018 0.0158 0.0267
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Loa Loa (eye worm) fibroinase 0.0018 0.0158 0.0158
Echinococcus granulosus glycine receptor subunit alpha 1 0.0064 0.1291 0.1611
Brugia malayi Rhodanese-like domain containing protein 0.0063 0.1267 0.2147
Brugia malayi beta-NAC-like protein 0.0026 0.0344 0.0584
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Plasmodium vivax basic transcription factor 3b, putative 0.0026 0.0344 1
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.0164 0.0644
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0064 0.1291 0.2187
Schistosoma mansoni nAChR subunit 0.0064 0.1291 0.5061
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0164 0.0644
Mycobacterium ulcerans aldehyde dehydrogenase 0.0045 0.0807 0.115
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Entamoeba histolytica hypothetical protein 0.0035 0.0565 0.2178
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0158 0.0197
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Schistosoma mansoni neurotransmitter gated ion channel 0.003 0.0443 0.1737
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0164 0.0205
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0164 0.0164
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0164 0.0644
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0064 0.1291 0.2187
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0164 0.0278
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0012 0.002
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0063 0.1267 0.1581
Mycobacterium ulcerans aldehyde dehydrogenase 0.0045 0.0807 0.115
Onchocerca volvulus Cathepsin F homolog 0.0018 0.0158 0.1139
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.0164 0.0644
Trypanosoma brucei transcription factor BTF3, putative 0.0026 0.0344 0.2161
Brugia malayi hypothetical protein 0.003 0.0443 0.0751
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0064 0.1291 0.2187
Echinococcus multilocularis nAChR subunit 0.0035 0.0565 0.0705
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0064 0.1291 0.1291
Giardia lamblia Hypothetical protein 0.0036 0.0588 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0158 0.0267
Echinococcus multilocularis transcription factor btf3 0.0026 0.0344 0.043
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0164 0.0205
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Echinococcus granulosus cathepsin l1 0.0012 0.0012 0.0015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.003 0.0443 0.0553
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0045 0.0807 0.1006
Loa Loa (eye worm) hypothetical protein 0.0037 0.0612 0.0612
Loa Loa (eye worm) GABA receptor subunit 0.0035 0.0565 0.0565
Mycobacterium ulcerans short chain dehydrogenase 0.0282 0.6595 1
Leishmania major cathepsin L-like protease 0.0018 0.0158 0.0769
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0064 0.1291 0.1291
Leishmania major cathepsin L-like protease 0.0018 0.0158 0.0769
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0035 0.0565 0.2214
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0158 0.0574
Onchocerca volvulus 0.0064 0.1291 1
Onchocerca volvulus 0.0018 0.0158 0.1139
Onchocerca volvulus 0.0018 0.0158 0.1139
Brugia malayi Cathepsin L-like precursor 0.0018 0.0158 0.0267
Schistosoma mansoni cathepsin F (C01 family) 0.0012 0.0012 0.0047
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0344 0.1309
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.125 0.8914
Entamoeba histolytica cell division control protein 45 CDC45, putative 0.0116 0.2551 1
Toxoplasma gondii cathepsin CPL 0.0018 0.0158 0.1372
Brugia malayi Calcitonin receptor-like protein seb-1 0.0037 0.0612 0.1036
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0164 0.0205
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0164 0.0205
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0164 0.0205
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0063 0.1267 0.1267
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0064 0.1291 0.5061
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0064 0.1291 0.1611
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0164 0.0205
Schistosoma mansoni ap endonuclease 0.0014 0.0054 0.0213
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0064 0.1291 0.2187
Schistosoma mansoni aldehyde dehydrogenase 0.0045 0.0807 0.3162
Brugia malayi Cathepsin L-like precursor 0.0012 0.0012 0.002
Leishmania major cathepsin L-like protease 0.0018 0.0158 0.0769
Leishmania major cell division cycle 45 (CDC45), putative 0.0036 0.0588 0.3979
Trypanosoma cruzi cell division cycle protein 45 (CDC45), putative 0.0036 0.0588 0.3979
Loa Loa (eye worm) cysteine protease 0.0018 0.0158 0.0158
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0164 0.0164
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0045 0.0807 0.115
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0158 0.0574
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0014 0.0054 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0158 0.0574
Entamoeba histolytica rodhanase-like domain containing protein 0.0063 0.1267 0.4943
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0164 0.0278
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0158 0.0769
Entamoeba histolytica rodhanase-like domain containing protein 0.0063 0.1267 0.4943
Schistosoma mansoni cell division control protein 45-related 0.0116 0.2551 1
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0164 0.0164
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0164 0.0205
Brugia malayi nuclear receptor NHR-88 0.0018 0.0164 0.0278
Mycobacterium tuberculosis Probable oxidoreductase 0.0282 0.6595 1
Brugia malayi hypothetical protein 0.003 0.0443 0.0751
Schistosoma mansoni nAChR subunit 0.003 0.0443 0.1737
Echinococcus granulosus neuropeptide s receptor 0.034 0.8016 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Trichomonas vaginalis ap endonuclease, putative 0.0014 0.0054 0.0167
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0064 0.1291 0.1611
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0164 0.0164
Brugia malayi steroid hormone receptor 0.0018 0.0164 0.0278
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0064 0.1291 0.2187
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0158 0.1139
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0045 0.0807 0.1006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0164 0.0164
Entamoeba histolytica transcription factor BTF3, putative 0.0026 0.0344 0.1309
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0064 0.1291 0.1611
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0158 0.356
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0164 0.0205
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0064 0.1291 0.1291
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.1396 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Echinococcus multilocularis cysteine protease 0.0018 0.0158 0.0197
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1396 1
Onchocerca volvulus 0.0064 0.1291 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0064 0.1291 0.2187
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.003 0.0443 0.0751
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0063 0.1267 0.4943
Loa Loa (eye worm) hypothetical protein 0.0035 0.0565 0.0565
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0045 0.0807 0.5606
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0164 0.0278
Brugia malayi latrophilin 2 splice variant baaae 0.0025 0.0328 0.0557
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0164 0.0278
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0158 0.0267
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0164 0.0278
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0064 0.1291 0.2187
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0164 0.0278
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0164 0.0278
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0164 0.0278
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.003 0.0443 0.0553
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0344 0.1309
Echinococcus multilocularis cell division control protein 45 0.0116 0.2551 0.3182
Schistosoma mansoni aldehyde dehydrogenase 0.0045 0.0807 0.3162
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0158 0.0197
Entamoeba histolytica hypothetical protein 0.0026 0.0344 0.1309
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0164 0.0205
Loa Loa (eye worm) hypothetical protein 0.0018 0.0164 0.0164
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0064 0.1291 0.1611
Trichomonas vaginalis cdc25b, putative 0.0063 0.1267 0.4943
Loa Loa (eye worm) hypothetical protein 0.0059 0.1146 0.1146
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0158 0.0574
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0164 0.0644
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0158 0.0158
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0064 0.1291 0.1611
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1396 1
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0063 0.1267 0.1581
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0064 0.1291 0.1611
Onchocerca volvulus 0.0018 0.0158 0.1139
Loa Loa (eye worm) hypothetical protein 0.0059 0.1146 0.1146
Schistosoma mansoni nAChR subunit 0.0064 0.1291 0.5061
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0158 0.0574
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0158 0.0574
Loa Loa (eye worm) hypothetical protein 0.0064 0.1291 0.1291
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0158 0.0574
Brugia malayi ecdysteroid receptor 0.0018 0.0164 0.0278
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0443 0.0751
Loa Loa (eye worm) hypothetical protein 0.003 0.0443 0.0443
Echinococcus multilocularis cysteine protease 0.0018 0.0158 0.0197
Onchocerca volvulus Protein ultraspiracle homolog 0.0018 0.0164 0.1191
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.003 0.0443 0.0553
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0063 0.1267 0.4943
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0014 0.0054 0.0054
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0063 0.1267 0.4943
Echinococcus granulosus glycine receptor subunit alpha 1 0.0064 0.1291 0.1611
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0164 0.0164
Mycobacterium ulcerans aldehyde dehydrogenase 0.0045 0.0807 0.115
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0443 0.0751

Activities

Activity type Activity value Assay description Source Reference
Mean relative potency (binding) = 0.17 Mean relative potency is the ratio of potencies of 'Ac-(Cha)RAMASL-NH2' and compound, to inhibit MHC class II DRB1*0101 ChEMBL. 10841792
Mean relative potency (binding) = 1.19 Mean relative potency is the ratio of potencies of 'Ac-(Cha)RAMASL-NH2' and compound, to inhibit MHC class II DRB1*0401 ChEMBL. 10841792

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.