Detailed information for compound 402111

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1053.21 | Formula: C51H76N10O14
  • H donors: 13 H acceptors: 14 LogP: -1.48 Rotable bonds: 37
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CO)Cc1ccccc1)C(C)C)CCC(=O)N)Cc1ccc(cc1)O)[C@H](O)C)N)C
  • InChi: 1S/C51H76N10O14/c1-8-28(6)39(53)48(71)60-42(29(7)63)49(72)56-35(24-31-16-18-32(64)19-17-31)44(67)54-33(20-21-38(52)65)43(66)58-40(26(2)3)50(73)61-22-12-15-37(61)47(70)55-34(23-30-13-10-9-11-14-30)45(68)57-36(25-62)46(69)59-41(27(4)5)51(74)75/h9-11,13-14,16-19,26-29,33-37,39-42,62-64H,8,12,15,20-25,53H2,1-7H3,(H2,52,65)(H,54,67)(H,55,70)(H,56,72)(H,57,68)(H,58,66)(H,59,69)(H,60,71)(H,74,75)/t28-,29+,33-,34-,35-,36-,37-,39-,40-,41-,42-/m0/s1
  • InChiKey: QLWYZOZFMMULQG-YNKNUPPDSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens major histocompatibility complex, class I, A Starlite/ChEMBL References

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
Onchocerca volvulus 0.1 1 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0066 0.0246 0.0246
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.017 0.1325 0.1325
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0114 0.074 0.074
Onchocerca volvulus 0.017 0.1325 0.1107
Echinococcus multilocularis sodium and chloride dependent glycine 0.017 0.1325 0.1325
Toxoplasma gondii hypothetical protein 0.017 0.1325 0.4004
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Echinococcus multilocularis cathepsin b 0.0327 0.2965 0.2965
Trypanosoma cruzi cysteine peptidase, putative 0.0325 0.2942 0.9921
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0253 0.2198 0.7471
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.017 0.1325 0.4004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0171 0.1339 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Onchocerca volvulus 0.0325 0.2942 0.2764
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0325 0.2942 1
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Loa Loa (eye worm) hypothetical protein 0.0071 0.0292 0.0292
Entamoeba histolytica cysteine proteinase 2 0.0171 0.1339 0.4054
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0066 0.0246 0.0836
Loa Loa (eye worm) hypothetical protein 0.0066 0.0246 0.0246
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0147 0.1087 0.312
Brugia malayi Cathepsin L-like precursor 0.0325 0.2942 0.2942
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Brugia malayi Cathepsin L-like precursor 0.0325 0.2942 0.2942
Loa Loa (eye worm) hypothetical protein 0.017 0.1325 0.1325
Trypanosoma cruzi major cysteine proteinase, putative 0.0066 0.0246 0.0829
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0119 0.0794 0.0794
Entamoeba histolytica cysteine proteinase 1, putative 0.0171 0.1339 0.4054
Brugia malayi cathepsin L-like cysteine proteinase 0.0066 0.0246 0.0246
Schistosoma mansoni cathepsin s 0.0105 0.0645 0.0645
Plasmodium vivax vivapain-1 0.0171 0.1339 0.4551
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0147 0.1087 0.3695
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0066 0.0246 0.0836
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.017 0.1325 0.1325
Brugia malayi cathepsin L precursor 0.0066 0.0246 0.0246
Leishmania major cathepsin L-like protease 0.0325 0.2942 1
Schistosoma mansoni cathepsin S (C01 family) 0.0066 0.0246 0.0246
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.017 0.1325 0.1325
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0101 0.0604 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0171 0.1339 0.1339
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0325 0.2942 0.2942
Plasmodium falciparum cysteine proteinase falcipain 1 0.0171 0.1339 0.4054
Loa Loa (eye worm) hypothetical protein 0.017 0.1325 0.1325
Plasmodium vivax unspecified product 0.0066 0.0246 0.0836
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Trypanosoma cruzi cruzipain precursor, putative 0.0325 0.2942 0.9921
Loa Loa (eye worm) serotonin transporter b 0.1 1 1
Echinococcus granulosus cathepsin b 0.0327 0.2965 0.2965
Brugia malayi cathepsin F-like cysteine proteinase 0.0105 0.0645 0.0645
Leishmania major cysteine peptidase A (CPA) 0.0325 0.2942 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.022 0.1849 0.1849
Onchocerca volvulus Prolyl endopeptidase homolog 0.0253 0.2198 0.2001
Loa Loa (eye worm) hypothetical protein 0.017 0.1325 0.1325
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.1 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0253 0.2198 0.2198
Brugia malayi Cathepsin L-like precursor 0.0325 0.2942 0.2942
Trypanosoma cruzi cysteine peptidase, putative 0.0171 0.1339 0.4515
Loa Loa (eye worm) hypothetical protein 0.022 0.1849 0.1849
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.017 0.1325 0.1325
Onchocerca volvulus 0.017 0.1325 0.1107
Brugia malayi Cathepsin L-like precursor 0.022 0.1849 0.1849
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.017 0.1325 0.5
Onchocerca volvulus Cathepsin F homolog 0.0325 0.2942 0.2764
Loa Loa (eye worm) hypothetical protein 0.1 1 1
Onchocerca volvulus 0.0325 0.2942 0.2764
Leishmania major cathepsin L-like protease 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0605 0.0605
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0327 0.2965 0.2965
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0171 0.1339 0.4515
Schistosoma mansoni sodium/chloride dependent transporter 0.1 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.017 0.1325 0.1325
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0171 0.1339 0.4551
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.017 0.1325 0.1325
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.017 0.1325 0.1325
Loa Loa (eye worm) hypothetical protein 0.017 0.1325 0.1325
Entamoeba histolytica cysteine protease, putative 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.017 0.1325 0.1325
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0101 0.0604 0.2053
Entamoeba histolytica cysteine proteinase, putative 0.0171 0.1339 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.022 0.1849 0.6235
Entamoeba histolytica cysteine proteinase, putative 0.0325 0.2942 1
Echinococcus granulosus serotonin transporter 0.1 1 1
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.017 0.1325 0.1325
Loa Loa (eye worm) hypothetical protein 0.0066 0.0246 0.0246
Echinococcus granulosus cathepsin L 0.0171 0.1339 0.1339
Loa Loa (eye worm) hypothetical protein 0.0066 0.0246 0.0246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0066 0.0246 0.0246
Brugia malayi Cathepsin L-like precursor 0.0325 0.2942 0.2942
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0066 0.0246 0.0836
Brugia malayi prolyl oligopeptidase family protein 0.0253 0.2198 0.2198
Loa Loa (eye worm) norepinephrine transporter 0.1 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Plasmodium vivax unspecified product 0.0171 0.1339 0.4551
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0171 0.1339 0.4551
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.017 0.1325 0.1325
Plasmodium vivax amine transporter, putative 0.017 0.1325 0.4505
Trypanosoma cruzi cysteine peptidase, putative 0.0105 0.0645 0.2174
Echinococcus granulosus calpain A 0.0119 0.0794 0.0794
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0101 0.0604 0.2037
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0066 0.0246 0.0836
Loa Loa (eye worm) calpain family protein 1 0.0084 0.0427 0.0427
Loa Loa (eye worm) hypothetical protein 0.017 0.1325 0.1325
Brugia malayi Cathepsin L-like cysteine proteinase 0.022 0.1849 0.1849
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0246 0.0246
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0325 0.2942 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.2198 0.2198
Toxoplasma gondii cathepsin CPL 0.0325 0.2942 1
Entamoeba histolytica cysteine proteinase, putative 0.0325 0.2942 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0066 0.0246 0.0836
Toxoplasma gondii prolyl endopeptidase 0.0253 0.2198 0.724
Loa Loa (eye worm) fibroinase 0.0325 0.2942 0.2942
Brugia malayi Papain family cysteine protease containing protein 0.0171 0.1339 0.1339
Echinococcus multilocularis cathepsin L 0.0171 0.1339 0.1339
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0119 0.0794 0.0794
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.017 0.1325 0.1325
Echinococcus granulosus sodium and chloride dependent glycine 0.017 0.1325 0.1325
Trypanosoma cruzi cysteine peptidase, putative 0.0325 0.2942 0.9921
Loa Loa (eye worm) hypothetical protein 0.022 0.1849 0.1849
Trypanosoma cruzi major cysteine proteinase, putative 0.0066 0.0246 0.0829
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Leishmania major cathepsin L-like protease 0.0325 0.2942 1
Plasmodium falciparum amino acid transporter, putative 0.017 0.1325 0.4004
Schistosoma mansoni sodium/chloride dependent transporter 0.017 0.1325 0.1325
Loa Loa (eye worm) calpain family protein 1 0.0114 0.074 0.074
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.074 0.074
Entamoeba histolytica cysteine proteinase, putative 0.0171 0.1339 0.4054
Onchocerca volvulus 0.0325 0.2942 0.2764
Echinococcus multilocularis prolyl endopeptidase 0.0253 0.2198 0.2198
Brugia malayi Papain family cysteine protease containing protein 0.0325 0.2942 0.2942
Schistosoma mansoni cathepsin F (C01 family) 0.0325 0.2942 0.2942
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0325 0.2942 0.2942
Entamoeba histolytica cysteine proteinase, putative 0.022 0.1849 0.5946
Plasmodium vivax hypothetical protein, conserved 0.017 0.1325 0.4505
Echinococcus granulosus prolyl endopeptidase 0.0253 0.2198 0.2198
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Plasmodium vivax unspecified product 0.0105 0.0645 0.2191
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0327 0.2965 0.2965
Loa Loa (eye worm) ctsf protein 0.0325 0.2942 0.2942
Echinococcus granulosus cathepsin l1 0.022 0.1849 0.1849
Leishmania major cathepsin L-like protease 0.0325 0.2942 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0066 0.0246 0.0246
Brugia malayi calpain family protein 1 0.0114 0.074 0.074
Trypanosoma cruzi oligopeptidase b 0.0101 0.0604 0.2037
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0066 0.0246 0.0836
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0325 0.2942 0.2942
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0325 0.2942 0.2942
Echinococcus granulosus cathepsin l1 0.0325 0.2942 0.2942
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0101 0.0604 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0325 0.2942 0.2942
Leishmania major cathepsin L-like protease 0.0325 0.2942 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0325 0.2942 0.2942
Plasmodium vivax vivapain-3 0.0171 0.1339 0.4551
Echinococcus granulosus cathepsin b 0.0327 0.2965 0.2965
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.022 0.1849 0.5946
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0066 0.0246 0.0246
Brugia malayi Sodium:neurotransmitter symporter family protein 0.017 0.1325 0.1325
Trypanosoma cruzi cysteine proteinase, putative 0.0171 0.1339 0.4515
Plasmodium vivax serine-repeat antigen (SERA) 0.0066 0.0246 0.0836
Brugia malayi cathepsin F-like cysteine proteinase 0.0066 0.0246 0.0246
Schistosoma mansoni sodium-dependent amino acid transporter 0.017 0.1325 0.1325
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0066 0.0246 0.0246
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0066 0.0246 0.0836
Plasmodium vivax vivapain-2 0.0325 0.2942 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Onchocerca volvulus 0.022 0.1849 0.1643
Echinococcus multilocularis cysteine protease 0.0325 0.2942 0.2942
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Brugia malayi cathepsin B-like cysteine proteinase 0.0327 0.2965 0.2965
Echinococcus granulosus cathepsin L cysteine proteinase 0.0325 0.2942 0.2942
Echinococcus granulosus uncharacterized sodium dependent transporter 0.017 0.1325 0.1325
Trypanosoma brucei prolyl endopeptidase 0.0253 0.2198 0.7471
Trypanosoma cruzi cysteine peptidase, putative 0.0325 0.2942 0.9921
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0147 0.1087 0.1087
Schistosoma mansoni cathepsin C 0.0066 0.0246 0.0246
Giardia lamblia Cathepsin B precursor 0.0147 0.1087 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0105 0.0645 0.0645
Giardia lamblia Cathepsin B precursor 0.0147 0.1087 1
Echinococcus granulosus cathepsin L cysteine protease 0.0171 0.1339 0.1339
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0066 0.0246 0.0836
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0066 0.0246 0.0836
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0227 0.192 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.017 0.1325 0.1325
Brugia malayi hypothetical protein 0.017 0.1325 0.1325
Echinococcus multilocularis cathepsin b 0.0327 0.2965 0.2965
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0066 0.0246 0.0246
Brugia malayi fibroinase precursor 0.0066 0.0246 0.0246
Onchocerca volvulus 0.0071 0.0292 0.0047
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0325 0.2942 0.2942
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.017 0.1325 0.1325
Schistosoma mansoni sodium/chloride dependent transporter 0.017 0.1325 0.1325
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.022 0.1849 0.5946
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0066 0.0246 0.0246
Onchocerca volvulus 0.017 0.1325 0.1107
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0066 0.0246 0.0246
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0325 0.2942 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0253 0.2198 0.2198
Loa Loa (eye worm) cathepsin B 0.0147 0.1087 0.1087
Schistosoma mansoni cathepsin B (C01 family) 0.0066 0.0246 0.0246
Brugia malayi Cathepsin L-like precursor 0.0105 0.0645 0.0645
Trypanosoma cruzi oligopeptidase b 0.0101 0.0604 0.2037
Echinococcus multilocularis serotonin transporter 0.1 1 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0246 0.0246
Plasmodium falciparum cysteine proteinase falcipain 3 0.0325 0.2942 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0327 0.2965 0.2965
Toxoplasma gondii cathepsin B 0.0147 0.1087 0.312
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0171 0.1339 0.1339
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0119 0.0794 0.0794
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.017 0.1325 0.1325
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0325 0.2942 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0101 0.0604 0.2053
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.017 0.1325 0.1325
Trypanosoma cruzi cysteine peptidase, putative 0.0325 0.2942 0.9921
Plasmodium vivax serine-repeat antigen (SERA) 0.0066 0.0246 0.0836
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0171 0.1339 0.4054
Plasmodium vivax vivapain-2 0.0325 0.2942 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.017 0.1325 0.4004
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0066 0.0246 0.0246
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0325 0.2942 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0325 0.2942 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.017 0.1325 0.1325
Echinococcus granulosus cysteine protease 0.0171 0.1339 0.1339
Echinococcus granulosus uncharacterized sodium dependent transporter 0.017 0.1325 0.1325
Loa Loa (eye worm) hypothetical protein 0.0066 0.0246 0.0246
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0066 0.0246 0.0246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0427 0.0427
Trypanosoma brucei cysteine peptidase C (CPC) 0.0147 0.1087 0.3695
Onchocerca volvulus 0.0325 0.2942 0.2764
Entamoeba histolytica cysteine proteinase, putative 0.0171 0.1339 0.4054
Echinococcus multilocularis cathepsin L 0.0066 0.0246 0.0246
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0325 0.2942 1
Plasmodium falciparum transporter, putative 0.017 0.1325 0.4004
Brugia malayi Papain family cysteine protease containing protein 0.0066 0.0246 0.0246
Onchocerca volvulus 0.0325 0.2942 0.2764
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.017 0.1325 0.4004
Onchocerca volvulus 0.0325 0.2942 0.2764
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Brugia malayi Papain family cysteine protease containing protein 0.0171 0.1339 0.1339
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0327 0.2965 0.2965
Onchocerca volvulus 0.0325 0.2942 0.2764
Toxoplasma gondii hypothetical protein 0.017 0.1325 0.4004
Brugia malayi cathepsin Z-like cysteine proteinase 0.0066 0.0246 0.0246
Loa Loa (eye worm) solute carrier family 6 member 4 0.1 1 1
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0327 0.2965 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0645 0.0645
Echinococcus multilocularis cysteine protease 0.0325 0.2942 0.2942
Schistosoma mansoni cathepsin F (C01 family) 0.0325 0.2942 0.2942
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0066 0.0246 0.0246
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.017 0.1325 0.1325
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0101 0.0604 0.2037
Trypanosoma cruzi cruzipain precursor, putative 0.0105 0.0645 0.2174
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.017 0.1325 0.1325
Leishmania major oligopeptidase b 0.0101 0.0604 0.2053
Trypanosoma cruzi cysteine proteinase, putative 0.0171 0.1339 0.4515
Brugia malayi Cathepsin L-like precursor 0.0325 0.2942 0.2942
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0325 0.2942 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.017 0.1325 0.1325
Brugia malayi Cathepsin L-like precursor 0.022 0.1849 0.1849
Leishmania major cathepsin L-like protease 0.0325 0.2942 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0066 0.0246 0.0246
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0325 0.2942 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0645 0.0645
Leishmania major cathepsin L-like protease 0.0325 0.2942 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Entamoeba histolytica cysteine protease, putative 0.0171 0.1339 0.4054
Loa Loa (eye worm) cysteine protease 0.0325 0.2942 0.2942
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0066 0.0246 0.0836
Trypanosoma cruzi prolyl endopeptidase 0.0253 0.2198 0.7412
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.017 0.1325 0.1325
Brugia malayi cathepsin L-like precursor 0.022 0.1849 0.1849
Onchocerca volvulus Cathepsin L homolog 0.0325 0.2942 0.2764
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0325 0.2942 1
Echinococcus granulosus cathepsin L 0.0066 0.0246 0.0246
Brugia malayi calpain family protein 1 0.0114 0.074 0.074
Brugia malayi Papain family cysteine protease containing protein 0.0066 0.0246 0.0246
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0101 0.0604 0.2053
Echinococcus multilocularis calpain A 0.0119 0.0794 0.0794
Entamoeba histolytica cysteine proteinase, putative 0.0171 0.1339 0.4054
Loa Loa (eye worm) hypothetical protein 0.1 1 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0645 0.0645
Schistosoma mansoni cathepsin F (C01 family) 0.022 0.1849 0.1849
Brugia malayi Sodium:neurotransmitter symporter family protein 0.017 0.1325 0.1325
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0105 0.0645 0.0645
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0325 0.2942 1
Brugia malayi Cathepsin L-like precursor 0.0325 0.2942 0.2942
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0066 0.0246 0.0246
Echinococcus granulosus sodium and chloride dependent glycine 0.017 0.1325 0.1325
Leishmania major cathepsin L-like protease 0.0325 0.2942 1
Treponema pallidum sodium- and chloride- dependent transporter 0.1 1 0.5
Giardia lamblia Cathepsin B precursor 0.0147 0.1087 1
Loa Loa (eye worm) hypothetical protein 0.0327 0.2965 0.2965
Loa Loa (eye worm) hypothetical protein 0.0325 0.2942 0.2942
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0147 0.1087 0.3665
Echinococcus multilocularis calpain family protein 1, d 0.0084 0.0427 0.0427
Brugia malayi Papain family cysteine protease containing protein 0.0066 0.0246 0.0246
Onchocerca volvulus Cathepsin L homolog 0.0325 0.2942 0.2764
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0171 0.1339 0.1339
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0325 0.2942 1
Trypanosoma brucei oligopeptidase b 0.0101 0.0604 0.2053
Trypanosoma cruzi cysteine protease, putative 0.0171 0.1339 0.4515
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0066 0.0246 0.0246
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0119 0.0794 0.0794

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.48 MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV) ChEMBL. 11606121
Log IC50 (binding) = 7.48 MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV) ChEMBL. 11606121

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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