Detailed information for compound 223181

Basic information

Technical information
  • TDR Targets ID: 223181
  • Name: benzyl N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-phen ylbutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl ]carbamate
  • MW: 478.967 | Formula: C27H27ClN2O4
  • H donors: 2 H acceptors: 3 LogP: 5.14 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1
  • InChi: 1S/C27H27ClN2O4/c28-18-25(31)23(16-20-10-4-1-5-11-20)29-26(32)24(17-21-12-6-2-7-13-21)30-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)/t23-,24-/m0/s1
  • InChiKey: GORZMXHABYFLGA-ZEQRLZLVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • benzyl N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-3-chloro-2-oxo-propyl]amino]-2-oxo-ethyl]carbamate
  • N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-3-chloro-2-oxopropyl]amino]-2-oxoethyl]carbamic acid benzyl ester
  • phenylmethyl N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]carbamate
  • N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-3-chloro-2-keto-propyl]amino]-2-keto-ethyl]carbamic acid benzyl ester

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
Giardia lamblia DINP protein human, muc B family 0.0022 0.0696 0.1307
Echinococcus granulosus tyrosine protein kinase Lyn 0.0004 0.002 0.0034
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0141 0.5229 1
Echinococcus multilocularis muscleblind protein 1 0.0158 0.5866 1
Leishmania major DNA polymerase eta, putative 0.0022 0.0696 0.3349
Trypanosoma brucei unspecified product 0.0015 0.044 0.2091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1827 0.3617
Echinococcus granulosus mothers against decapentaplegic 6 0.0004 0.0027 0.0046
Brugia malayi MH2 domain containing protein 0.0009 0.0219 0.0233
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0127 0.0553
Loa Loa (eye worm) hypothetical protein 0.0022 0.0696 0.0779
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0137 0.5051 1
Brugia malayi MH1 domain containing protein 0.0005 0.0064 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0141 0.5229 0.5222
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1827 0.3115
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.205 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0582 0.0993
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.205 0.3495
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0696 0.1379
Loa Loa (eye worm) hypothetical protein 0.0158 0.5866 0.6683
Plasmodium vivax SET domain containing protein 0.0005 0.0045 0.022
Schistosoma mansoni smad1 5 8 and 0.0009 0.0219 0.0434
Echinococcus multilocularis Smad4 0.0009 0.0219 0.0373
Schistosoma mansoni smad 0.0009 0.0219 0.0434
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0696 0.1187
Echinococcus multilocularis dna polymerase eta 0.0022 0.0696 0.1187
Brugia malayi Muscleblind-like protein 0.0158 0.5866 0.6683
Plasmodium vivax histone acetyltransferase GCN5, putative 0.004 0.1395 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0696 0.5441
Onchocerca volvulus 0.0034 0.1148 0.1135
Echinococcus multilocularis smad 0.0009 0.0219 0.0373
Brugia malayi MH2 domain containing protein 0.0009 0.0219 0.0233
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0582 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0219 0.0434
Entamoeba histolytica protein kinase, putative 0.0004 0.002 0.0039
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0696 0.3349
Echinococcus multilocularis traf and tnf receptor associated protein 0.0004 0.0015 0.0025
Trichomonas vaginalis bromodomain-containing protein, putative 0.004 0.1395 0.1382
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0219 0.0373
Echinococcus granulosus smad 0.0009 0.0219 0.0373
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0004 0.0015 0.0025
Schistosoma mansoni neutral sphingomyelinase 0.0004 0.0015 0.0029
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0004 0.0015 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0141 0.5229 0.5222
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0127 0.0553
Trichomonas vaginalis conserved hypothetical protein 0.0141 0.5229 0.5222
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0696 0.1379
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.205 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.205 0.2038
Echinococcus multilocularis deoxyribonuclease 1 2 0.0004 0.0015 0.0025
Echinococcus granulosus dna polymerase eta 0.0022 0.0696 0.1187
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0004 0.002 0.0039
Trypanosoma brucei unspecified product 0.0015 0.044 0.2091
Schistosoma mansoni synaptojanin 0.0004 0.0015 0.0029
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1827 0.3115
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0696 0.3349
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0582 0.2788
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.044 0.2091
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0582 0.0568
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0582 0.2788
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.205 0.2324
Trichomonas vaginalis set domain proteins, putative 0.0267 1 1
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0127 0.0553
Brugia malayi hypothetical protein 0.0141 0.5229 0.5956
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.1148 0.1956
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.044 0.2091
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0004 0.0015 0.0025
Loa Loa (eye worm) MH2 domain-containing protein 0.0004 0.0027 0.0014
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0219 0.0373
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.205 0.2038
Echinococcus multilocularis muscleblind protein 0.0158 0.5866 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0696 0.0683
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0127 0.0553
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Brugia malayi STAT protein, DNA binding domain containing protein 0.0178 0.662 0.7544
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.205 0.3495
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0696 0.0683
Loa Loa (eye worm) hypothetical protein 0.0007 0.0127 0.0129
Brugia malayi Pre-SET motif family protein 0.0034 0.1148 0.1294
Leishmania major DNA damage repair protein, putative 0.0007 0.0127 0.0553
Echinococcus granulosus histone acetyltransferase KAT2B 0.0133 0.4906 0.8363
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0127 0.0553
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.205 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0005 0.0045 0.0149
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0696 0.0779
Schistosoma mansoni cript-related 0.0004 0.0015 0.0029
Echinococcus granulosus synaptojanin 1 0.0004 0.0015 0.0025
Giardia lamblia Sugar transport family protein 0.0141 0.5229 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.1148 0.1956
Plasmodium falciparum histone acetyltransferase GCN5 0.0037 0.1268 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.205 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.1148 0.2272
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0127 0.0553
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0582 0.2788
Schistosoma mansoni smad 0.0004 0.0027 0.0053
Trichomonas vaginalis Regulatory protein uhpC, putative 0.0141 0.5229 0.5222
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.205 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0696 0.3349
Trichomonas vaginalis glucarate, hexuronate transporter, putative 0.0141 0.5229 0.5222
Trichomonas vaginalis conserved hypothetical protein 0.0141 0.5229 0.5222
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0696 0.3349
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.205 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0696 0.1187
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0696 0.3349
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0127 0.0553
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0696 0.1307
Loa Loa (eye worm) MH1 domain-containing protein 0.0004 0.0027 0.0014
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.205 0.2038
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0582 0.453
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0004 0.0015 0.0025
Brugia malayi MH2 domain containing protein 0.0004 0.0027 0.0014
Brugia malayi mothers against decapentaplegic homolog 3 0.0004 0.0027 0.0014
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0127 0.0553
Echinococcus granulosus neutral sphingomyelinase 0.0004 0.0015 0.0025
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0582 0.0568
Giardia lamblia Kinase, CMGC MAPK 0.0058 0.205 0.3903
Echinococcus multilocularis mothers against decapentaplegic 6 0.0004 0.0027 0.0046
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0582 0.4113
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0696 0.0779
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.4976 0.5666
Loa Loa (eye worm) hypothetical protein 0.0005 0.0064 0.0056
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0004 0.0015 0.0025
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.8771 1
Schistosoma mansoni Smad4 0.0009 0.0219 0.0434
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0582 0.7994
Echinococcus granulosus traf and tnf receptor associated protein 0.0004 0.0015 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0137 0.5051 0.8611
Echinococcus multilocularis mothers against decapentaplegic 2 0.0004 0.0027 0.0046
Chlamydia trachomatis hexose phosphate transporter 0.0141 0.5229 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.1148 0.1956
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0582 0.1088
Echinococcus granulosus muscleblind protein 0.0158 0.5866 1
Trichomonas vaginalis transport proetin, putative 0.0141 0.5229 0.5222
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0582 0.0648
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.205 0.2038
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0219 0.0233
Brugia malayi Pre-SET motif family protein 0.0235 0.8771 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.205 0.3495
Schistosoma mansoni ap endonuclease 0.0019 0.0582 0.1153
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0696 0.1307
Brugia malayi polk-prov protein 0.0007 0.0127 0.0129
Brugia malayi MH1 domain containing protein 0.0009 0.0219 0.0233
Loa Loa (eye worm) hypothetical protein 0.0004 0.0027 0.0014
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.205 0.4058
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Brugia malayi MH1 domain containing protein 0.0009 0.0219 0.0233
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0696 0.3349
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.1148 0.2272
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0219 0.0373
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1827 0.3617
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.1148 0.2272
Leishmania major DNA polymerase kappa, putative 0.0007 0.0127 0.0553
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.1827 0.207
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0141 0.5229 1
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0127 0.0816
Trichomonas vaginalis Hexuronate transporter, putative 0.0141 0.5229 0.5222
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0127 0.0252
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0582 0.0648
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0582 0.453
Trypanosoma brucei unspecified product 0.0022 0.0696 0.3349
Plasmodium vivax SET domain protein, putative 0.0034 0.1148 0.8211
Brugia malayi MH1 domain containing protein 0.0005 0.0064 0.0056
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0127 0.0553
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0582 0.1088
Schistosoma mansoni ap endonuclease 0.0019 0.0582 0.1153
Loa Loa (eye worm) nuclear factor I 0.0005 0.0064 0.0056
Loa Loa (eye worm) acetyltransferase 0.0137 0.5051 0.5752
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0004 0.0017 0.0002
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0004 0.0015 0.0025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1827 0.3115
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0127 0.0553
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.1101 0.1876
Echinococcus multilocularis synaptojanin 1 0.0004 0.0015 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0127 0.0553
Schistosoma mansoni Smad4 0.0004 0.0027 0.0053
Schistosoma mansoni hypothetical protein 0.0004 0.0015 0.0029
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0127 0.0553
Trichomonas vaginalis conserved hypothetical protein 0.0141 0.5229 0.5222
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.205 1
Brugia malayi MAP kinase sur-1 0.0058 0.205 0.2324
Giardia lamblia DNA damage repair protein 0.0007 0.0127 0.0216
Schistosoma mansoni DNA polymerase eta 0.0022 0.0696 0.1379
Leishmania major DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Schistosoma mansoni carbon catabolite repressor protein 0.0004 0.0015 0.0029
Trypanosoma brucei protein kinase, putative 0.0058 0.205 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.5866 0.6683
Schistosoma mansoni smad1 5 8 and 0.0009 0.0219 0.0434
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0219 0.0233
Brugia malayi acetyltransferase, GNAT family protein 0.0137 0.5051 0.5752
Loa Loa (eye worm) Smad1 0.0009 0.0219 0.0233
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0696 0.0779
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0696 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.004 0.1395 0.6779
Brugia malayi Smad1 0.0009 0.0219 0.0233
Echinococcus granulosus histone acetyltransferase KAT2B 0.004 0.1395 0.2377
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0004 0.0015 0.0029
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0004 0.0017 0.0002
Trichomonas vaginalis glucose-6-phosphate translocase, putative 0.0141 0.5229 0.5222
Schistosoma mansoni smad1 5 8 and 0.0009 0.0219 0.0434
Echinococcus granulosus dna polymerase kappa 0.0022 0.0696 0.1187
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0582 0.0993
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.1148 0.5566
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0219 0.0373
Trichomonas vaginalis conserved hypothetical protein 0.0141 0.5229 0.5222
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.044 0.2091
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0127 0.0553
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0127 0.0553
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.205 0.3495
Echinococcus granulosus Smad4 0.0009 0.0219 0.0373
Toxoplasma gondii exonuclease III APE 0.0019 0.0582 0.2788
Trichomonas vaginalis Regulatory protein uhpC, putative 0.0141 0.5229 0.5222
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0004 0.0027 0.0012
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0582 0.2788
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.1827 0.207
Loa Loa (eye worm) STAT protein 0.0178 0.662 0.7544
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0127 0.0553
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.004 0.1395 0.6779
Schistosoma mansoni nocturnin 0.0004 0.0015 0.0029
Echinococcus granulosus mothers against decapentaplegic 2 0.0004 0.0027 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1827 0.3115
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0127 0.0898
Entamoeba histolytica acetyltransferase, GNAT family 0.0037 0.1268 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1827 0.3617
Trichomonas vaginalis conserved hypothetical protein 0.0141 0.5229 0.5222
Schistosoma mansoni synaptojanin 0.0004 0.0015 0.0029
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.004 0.1395 0.1382
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0696 0.1187
Schistosoma mansoni Smad4 0.0004 0.0027 0.0053
Echinococcus multilocularis neutral sphingomyelinase 0.0004 0.0015 0.0025
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.205 1
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0696 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0696 0.3349
Trichomonas vaginalis glucarate, hexuronate transporter, putative 0.0141 0.5229 0.5222
Loa Loa (eye worm) hypothetical protein 0.0034 0.1148 0.1294
Giardia lamblia Histone acetyltransferase GCN5 0.0037 0.1268 0.2403
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.4976 0.5666
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.1148 0.2272
Leishmania major DNA polymerase eta, putative 0.0007 0.0127 0.0553
Brugia malayi MH2 domain containing protein 0.0135 0.4976 0.5666

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.6 uM Antitrypanosomal activity against blood stream form of Trypanosoma brucei brucei ChEMBL. 23611656
Inhibition (binding) M-1 s-1 Inhibition of Cathepsin B (fluorogenic assay); not determined ChEMBL. No reference
k obs / 1 (binding) < 500 M-1 s-1 Apparent second order rate constant for inhibition of calpain-1 by fluorogenic assay. ChEMBL. No reference
k obs / 1 (binding) < 500 M-1 s-1 Apparent second order rate constant for inhibition of calpain-1 by fluorogenic assay. ChEMBL. No reference
ND (binding) 0 M-1 s-1 Inhibition of Cathepsin B (fluorogenic assay); not determined ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense 23611656

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.

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