Detailed information for compound 1726772

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 763.915 | Formula: C42H70INO3
  • H donors: 1 H acceptors: 2 LogP: 12.29 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCN(CC#C[C@@H]([C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)C(=C)C)O)CCC.CI
  • InChi: 1S/C41H67NO3.CH3I/c1-11-25-42(26-12-2)27-13-14-34(44)41-22-17-30(28(3)4)36(41)31-15-16-33-38(8)20-19-35(45-29(5)43)37(6,7)32(38)18-21-40(33,10)39(31,9)23-24-41;1-2/h30-36,44H,3,11-12,15-27H2,1-2,4-10H3;1H3/t30-,31+,32-,33+,34-,35-,36+,38-,39+,40+,41+;/m0./s1
  • InChiKey: GVOUQZVUKRUGSM-XUWUEXSJSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum cysteine proteinase falcipain 3 0.0039 0.0129 0.0136
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0039 0.0129 0.0129
Mycobacterium tuberculosis Conserved protein 0.0333 0.2115 0.2909
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0333 0.2115 0.5
Onchocerca volvulus 0.0036 0.0108 0.0071
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0017 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Echinococcus multilocularis cysteine protease 0.0039 0.0129 0.0129
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0017 0.0018
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.1421 0.9481 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0039 0.0129 0.0136
Trypanosoma brucei unspecified product 0.0023 0.0017 0.0018
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.1421 0.9481 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0129 0.0535
Trypanosoma cruzi major cysteine proteinase, putative 0.0118 0.0659 0.0696
Onchocerca volvulus Cathepsin L homolog 0.0039 0.0129 0.0093
Brugia malayi Adenine phosphoribosyltransferase 0.0333 0.2115 0.2231
Loa Loa (eye worm) hypothetical protein 0.0107 0.059 0.273
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Onchocerca volvulus 0.0039 0.0129 0.0093
Echinococcus granulosus cathepsin l1 0.0026 0.0041 0.0041
Schistosoma mansoni cathepsin F (C01 family) 0.0039 0.0129 0.0129
Leishmania major cathepsin L-like protease 0.015 0.0876 0.0908
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0333 0.2115 0.2231
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0017 0.0018
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0333 0.2115 0.2115
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0017 0.0018
Trypanosoma cruzi cruzipain precursor, putative 0.015 0.0876 0.0924
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.1571 0.7408
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Schistosoma mansoni uracil phosphoribosyltransferase 0.0333 0.2115 0.2115
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0129 0.0136
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Mycobacterium tuberculosis Probable pyrimidine operon regulatory protein PyrR 0.0333 0.2115 0.2909
Schistosoma mansoni DNA polymerase eta 0.0023 0.0017 0.0017
Trichomonas vaginalis set domain proteins, putative 0.0287 0.1807 0.1906
Schistosoma mansoni hypothetical protein 0.004 0.0134 0.0134
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0137 0.0788 0.0832
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0333 0.2115 1
Brugia malayi cathepsin L-like precursor 0.0026 0.0041 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0108 0.0108
Loa Loa (eye worm) transcription factor SMAD2 0.0268 0.168 0.7927
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.1421 0.9481 0.9481
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0333 0.2115 0.2115
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Echinococcus multilocularis cathepsin L cysteine protease 0.0039 0.0129 0.0129
Echinococcus granulosus uridine 5' monophosphate synthase 0.0333 0.2115 0.2115
Brugia malayi Cathepsin L-like precursor 0.0026 0.0041 0.0043
Leishmania major cathepsin L-like protease 0.0039 0.0129 0.0119
Leishmania major cathepsin L-like protease 0.0039 0.0129 0.0119
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0108 0.0108
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0134 0.0142
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0017 0.0017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Onchocerca volvulus Cathepsin L homolog 0.0039 0.0129 0.0093
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0333 0.2115 0.2115
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Mycobacterium ulcerans hypothetical protein 0.0333 0.2115 0.2217
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Onchocerca volvulus 0.1421 0.9481 1
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.1421 0.9481 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.026 0.116
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0039 0.0129 0.0136
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Onchocerca volvulus 0.0039 0.0129 0.0093
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.026 0.0274
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0017 0.0018
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0333 0.2115 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0017 0.0018
Loa Loa (eye worm) cysteine protease 0.0039 0.0129 0.0535
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0333 0.2115 0.2115
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0108 0.0108
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0017 0.0018
Onchocerca volvulus 0.0039 0.0129 0.0093
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0129 0.0136
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.026 0.116
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Leishmania major cysteine peptidase A (CPA) 0.0039 0.0129 0.0119
Brugia malayi Papain family cysteine protease containing protein 0.0039 0.0129 0.0136
Echinococcus granulosus cathepsin l cysteine peptidase 0.0039 0.0129 0.0129
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0017 0.1296
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0129 0.0136
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Brugia malayi Pre-SET motif family protein 0.0036 0.0108 0.0114
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0039 0.0129 0.0136
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0333 0.2115 0.2115
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0129 0.0136
Echinococcus multilocularis cathepsin L cysteine protease 0.0039 0.0129 0.0129
Loa Loa (eye worm) MH2 domain-containing protein 0.0268 0.168 0.7927
Onchocerca volvulus 0.0039 0.0129 0.0093
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0017 0.0018
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Echinococcus granulosus tumor protein p63 0.0733 0.4827 0.4827
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.1421 0.9481 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Onchocerca volvulus 0.0287 0.1807 0.1871
Plasmodium vivax SET domain protein, putative 0.0036 0.0108 0.0114
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0129 0.0136
Echinococcus multilocularis dna polymerase eta 0.0023 0.0017 0.0017
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0017 0.0017
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0041 0.0041
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0039 0.0129 0.0136
Mycobacterium tuberculosis Amidophosphoribosyltransferase PurF (glutamine phosphoribosylpyrophosphate amidotransferase) (ATASE) (gpatase) 0.0333 0.2115 0.2909
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0333 0.2115 0.2115
Onchocerca volvulus Cathepsin F homolog 0.0039 0.0129 0.0093
Echinococcus granulosus dna polymerase eta 0.0023 0.0017 0.0017
Brugia malayi Cathepsin L-like precursor 0.0039 0.0129 0.0136
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.1088 0.7229 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.1421 0.9481 0.9481
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.1421 0.9481 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0108 0.0108
Onchocerca volvulus 0.0039 0.0129 0.0093
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.1421 0.9481 0.9481
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.1421 0.9481 0.9481
Trypanosoma cruzi cysteine peptidase, putative 0.015 0.0876 0.0924
Trypanosoma cruzi cysteine peptidase, putative 0.0039 0.0129 0.0136
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0039 0.0129 0.0129
Giardia lamblia Guanine phosphoribosyltransferase 0.1421 0.9481 1
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0333 0.2115 0.2115
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0333 0.2115 0.2231
Mycobacterium ulcerans orotate phosphoribosyltransferase 0.0333 0.2115 0.2217
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.026 0.0274
Mycobacterium tuberculosis Conserved hypothetical protein 0.0333 0.2115 0.2909
Loa Loa (eye worm) hypothetical protein 0.0036 0.0108 0.0435
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Onchocerca volvulus 0.0039 0.0129 0.0093
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.1088 0.7229 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.1421 0.9481 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0039 0.0129 0.0535
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0041 0.3182
Loa Loa (eye worm) hypothetical protein 0.0026 0.0041 0.0116
Brugia malayi Cathepsin L-like precursor 0.0039 0.0129 0.0136
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.1421 0.9481 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0017 0.0017
Plasmodium vivax vivapain-2 0.0039 0.0129 0.0136
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Plasmodium falciparum orotate phosphoribosyltransferase 0.0333 0.2115 0.2231
Loa Loa (eye worm) ctsf protein 0.0039 0.0129 0.0535
Leishmania major xanthine phosphoribosyltransferase 0.1421 0.9481 1
Mycobacterium tuberculosis Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase) 0.0333 0.2115 0.2909
Brugia malayi orotate phosphoribosyltransferase family protein 0.0333 0.2115 0.2231
Schistosoma mansoni cathepsin F (C01 family) 0.0039 0.0129 0.0129
Onchocerca volvulus 0.0039 0.0129 0.0093
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.1421 0.9481 0.9481
Entamoeba histolytica cysteine protease, putative 0.0039 0.0129 1
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.1421 0.9481 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0017 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0129 0.0136
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Trypanosoma cruzi cysteine peptidase, putative 0.015 0.0876 0.0924
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.1421 0.9481 1
Brugia malayi Pre-SET motif family protein 0.0252 0.1571 0.1657
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0333 0.2115 0.2217
Brugia malayi Cathepsin L-like precursor 0.0039 0.0129 0.0136
Brugia malayi Cathepsin L-like precursor 0.0039 0.0129 0.0136
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0129 0.0136
Mycobacterium ulcerans bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase 0.0333 0.2115 0.2217
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0108 0.0108
Entamoeba histolytica cysteine proteinase, putative 0.0039 0.0129 1
Brugia malayi Phosphoribosyl transferase domain containing protein 0.1421 0.9481 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.004 0.0134 0.0561
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0333 0.2115 0.5
Brugia malayi Cathepsin L-like precursor 0.0039 0.0129 0.0136
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Trypanosoma cruzi cysteine peptidase, putative 0.015 0.0876 0.0924
Mycobacterium tuberculosis Adenine phosphoribosyltransferase Apt (APRT) (AMP diphosphorylase) (AMP pyrophosphorylase) (transphosphoribosidase) 0.0333 0.2115 0.2909
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0017 0.0017
Loa Loa (eye worm) fibroinase 0.0039 0.0129 0.0535
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0017 0.0017
Mycobacterium ulcerans amidophosphoribosyltransferase 0.0333 0.2115 0.2217
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.1421 0.9481 0.9481
Echinococcus granulosus adenine phosphoribosyltransferase 0.0333 0.2115 0.2115
Echinococcus multilocularis cysteine protease 0.0039 0.0129 0.0129
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Brugia malayi Cathepsin L-like cysteine proteinase 0.0026 0.0041 0.0043
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Brugia malayi Cathepsin L-like precursor 0.0039 0.0129 0.0136
Giardia lamblia Adenine phosphoribosyltransferase 0.0333 0.2115 0.2217
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0129 0.0136
Loa Loa (eye worm) hypothetical protein 0.0026 0.0041 0.0116
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.015 0.0876 0.0924
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0108 0.0108
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0039 0.0129 0.0136
Toxoplasma gondii orotate phosphoribosyltransferase 0.0333 0.2115 0.2141
Leishmania major cathepsin L-like protease 0.0039 0.0129 0.0119
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Leishmania major cathepsin L-like protease 0.015 0.0876 0.0908
Treponema pallidum hypothetical protein 0.0333 0.2115 0.5
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.1421 0.9481 1
Mycobacterium ulcerans adenine phosphoribosyltransferase 0.0333 0.2115 0.2217
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.1421 0.9481 1
Echinococcus multilocularis tumor protein p63 0.0733 0.4827 0.4827
Leishmania major adenine phosphoribosyltransferase 0.0333 0.2115 0.2217
Echinococcus granulosus dna polymerase kappa 0.0023 0.0017 0.0017
Echinococcus granulosus cathepsin L cysteine proteinase 0.0039 0.0129 0.0129
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Toxoplasma gondii cathepsin CPL 0.0039 0.0129 0.0022
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Brugia malayi MH2 domain containing protein 0.0268 0.168 0.1772
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0017 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0041 0.0043
Onchocerca volvulus 0.0107 0.059 0.0581
Schistosoma mansoni cellular tumor antigen P53 0.0107 0.059 0.059
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0333 0.2115 1
Leishmania major cathepsin L-like protease 0.0039 0.0129 0.0119
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.1421 0.9481 1
Leishmania major cathepsin L-like protease 0.0039 0.0129 0.0119
Entamoeba histolytica cysteine proteinase, putative 0.0039 0.0129 1
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.1421 0.9481 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0039 0.0129 0.0136
Echinococcus granulosus cathepsin l1 0.0039 0.0129 0.0129
Mycobacterium tuberculosis Conserved protein 0.0333 0.2115 0.2909
Treponema pallidum adenine phosphoribosyltransferase 0.0333 0.2115 0.5
Leishmania major cathepsin L-like protease 0.015 0.0876 0.0908
Loa Loa (eye worm) hypothetical protein 0.0026 0.0041 0.0116
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0333 0.2115 0.2197
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0099 0.0099
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0333 0.2115 0.2231
Brugia malayi Cathepsin L-like precursor 0.0026 0.0041 0.0043
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0041 0.0043
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0039 0.0129 0.0535
Plasmodium vivax vivapain-2 0.0039 0.0129 0.0136

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) > 90 % Induction of apoptosis in human A549 cells assessed as early apoptotic cells at 10 uM after 6 hrs by annexin V/propidium iodide staining-based FACS flow cytometric analysis relative to control ChEMBL. 23245801
IC50 (functional) = 4.1 uM Cytotoxicity against human 8505C cells assessed as cell viability after 96 hrs by SRB assay ChEMBL. 23245801
IC50 (ADMET) = 6.8 uM Cytotoxicity against mouse NIH/3T3 cells assessed as cell viability after 96 hrs by SRB assay ChEMBL. 23245801

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23245801
Mus musculus ChEMBL23 23245801

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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