Detailed information for compound 378743

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1016.24 | Formula: C46H69N11O11S2
  • H donors: 14 H acceptors: 11 LogP: -1.41 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCC[C@H]1NC(=O)[C@H](NC(=O)[C@@H](CSSC([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)[C@H](O)C)C(=O)N[C@H](C(=O)N)[C@H](O)C)(C)C)NC(=O)C1NCc2c(C1)cccc2)Cc1ccc(cc1)O
  • InChi: 1S/C46H69N11O11S2/c1-24(58)35(38(49)61)55-45(68)37-46(3,4)70-69-23-34(54-41(64)32-21-27-10-5-6-11-28(27)22-50-32)43(66)53-33(20-26-14-16-29(60)17-15-26)42(65)52-31(13-9-19-48)39(62)51-30(12-7-8-18-47)40(63)56-36(25(2)59)44(67)57-37/h5-6,10-11,14-17,24-25,30-37,50,58-60H,7-9,12-13,18-23,47-48H2,1-4H3,(H2,49,61)(H,51,62)(H,52,65)(H,53,66)(H,54,64)(H,55,68)(H,56,63)(H,57,67)/t24-,25-,30+,31+,32?,33+,34+,35+,36+,37-/m1/s1
  • InChiKey: FQSNRCLDMCXEHO-FBOMPLDHSA-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
Brugia malayi Cathepsin L-like precursor 0.0281 0.3422 0.6621
Treponema pallidum bacterioferrin (TpF1) 0.001 0.001 0.5
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0077 0.086 0.105
Schistosoma mansoni cathepsin F (C01 family) 0.0419 0.5168 0.5163
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0216 0.2607 0.2599
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0536 0.1037
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.086 0.1649
Brugia malayi Papain family cysteine protease containing protein 0.0077 0.086 0.1665
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.033 0.0639
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.086 0.1663
Schistosoma mansoni cpg binding protein 0.0031 0.0281 0.0272
Schistosoma mansoni cpg binding protein 0.0031 0.0281 0.0272
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0419 0.5168 1
Entamoeba histolytica hypothetical protein 0.0077 0.086 0.1051
Schistosoma mansoni cathepsin F (C01 family) 0.0419 0.5168 0.5163
Echinococcus granulosus cathepsin L cysteine proteinase 0.0419 0.5168 0.5167
Brugia malayi cathepsin L-like cysteine proteinase 0.0077 0.086 0.1665
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 0.2607 0.5035
Brugia malayi Papain family cysteine protease containing protein 0.0077 0.086 0.1665
Echinococcus multilocularis tumor protein p63 0.0393 0.4838 0.4837
Giardia lamblia Cathepsin L precursor 0.0077 0.086 0.5
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0077 0.086 0.5
Giardia lamblia Cathepsin L precursor 0.0077 0.086 0.5
Onchocerca volvulus 0.0419 0.5168 1
Leishmania major cathepsin L-like protease 0.0419 0.5168 1
Leishmania major cathepsin L-like protease 0.0419 0.5168 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0139 0.1632 0.3158
Entamoeba histolytica cysteine protease, putative 0.0077 0.086 0.1051
Schistosoma mansoni cathepsin B (C01 family) 0.0077 0.086 0.0851
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Schistosoma mansoni hypothetical protein 0.0016 0.0091 0.0082
Onchocerca volvulus 0.0058 0.0611 0.0714
Loa Loa (eye worm) ctsf protein 0.0419 0.5168 1
Entamoeba histolytica cysteine protease, putative 0.0077 0.086 0.1051
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0077 0.086 0.0851
Onchocerca volvulus 0.0419 0.5168 1
Giardia lamblia Cysteine protease 0.0077 0.086 0.5
Brugia malayi Cathepsin L-like precursor 0.0419 0.5168 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0355 0.1201
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0091 0.009
Trypanosoma cruzi cysteine protease, putative 0.0216 0.2607 0.4678
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0355 0.1201
Onchocerca volvulus 0.0419 0.5168 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0355 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.086 0.1649
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Loa Loa (eye worm) cysteine protease 0.0419 0.5168 1
Plasmodium vivax unspecified product 0.0139 0.1632 0.2653
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0355 0.0353
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0419 0.5168 1
Toxoplasma gondii cathepsin CPL 0.0419 0.5168 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0355 0.0354
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.086 0.1649
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0419 0.5168 1
Echinococcus multilocularis dnaJ subfamily B 0.0424 0.5219 0.5219
Trypanosoma cruzi major cysteine proteinase, putative 0.0077 0.086 0.105
Leishmania major cathepsin L-like protease 0.0419 0.5168 1
Schistosoma mansoni cathepsin F (C01 family) 0.0281 0.3422 0.3415
Brugia malayi Papain family cysteine protease containing protein 0.0077 0.086 0.1665
Entamoeba histolytica cysteine protease, putative 0.0077 0.086 0.1051
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0091 0.009
Mycobacterium tuberculosis Conserved protein 0.0037 0.0355 0.1201
Brugia malayi Cathepsin L-like precursor 0.0139 0.1632 0.3158
Echinococcus granulosus cathepsin l cysteine peptidase 0.0419 0.5168 0.5167
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.0355 1
Echinococcus granulosus cathepsin L 0.0077 0.086 0.0859
Giardia lamblia Cathepsin B precursor 0.0077 0.086 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.068 0.0671
Brugia malayi cathepsin Z-like cysteine proteinase 0.0077 0.086 0.1665
Brugia malayi Cathepsin L-like precursor 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Brugia malayi Cathepsin L-like precursor 0.0419 0.5168 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0216 0.2607 0.2599
Giardia lamblia Cathepsin B precursor 0.0077 0.086 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0419 0.5168 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0216 0.2607 0.2599
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0419 0.5168 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0536 0.1034
Loa Loa (eye worm) hypothetical protein 0.0077 0.086 0.1663
Schistosoma mansoni hypothetical protein 0.0424 0.5219 0.5215
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0355 0.0669
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Onchocerca volvulus 0.0077 0.086 0.1223
Brugia malayi cathepsin L precursor 0.0077 0.086 0.1665
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0077 0.086 0.105
Toxoplasma gondii cathepsin CPC2 0.0077 0.086 0.105
Plasmodium vivax serine-repeat antigen (SERA) 0.0077 0.086 0.105
Giardia lamblia Cathepsin L precursor 0.0077 0.086 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0077 0.086 0.0851
Trypanosoma cruzi cysteine proteinase, putative 0.0216 0.2607 0.4678
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0355 0.0669
Entamoeba histolytica cysteine protease, putative 0.0077 0.086 0.1051
Toxoplasma gondii preprocathepsin c precursor, putative 0.0077 0.086 0.105
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0419 0.5168 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Echinococcus granulosus GPCR family 2 0.0016 0.0091 0.009
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Leishmania major cysteine peptidase A (CPA) 0.0419 0.5168 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.1632 0.3156
Echinococcus granulosus cpg binding protein 0.0031 0.0281 0.028
Giardia lamblia Cysteine protease 0.0077 0.086 0.5
Giardia lamblia Cathepsin B precursor 0.0077 0.086 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0355 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0077 0.086 0.0851
Echinococcus granulosus ferritin 0.001 0.001 0.0008
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0355 0.0669
Trypanosoma cruzi major cysteine proteinase, putative 0.0077 0.086 0.105
Giardia lamblia Cathepsin L precursor 0.0077 0.086 0.5
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0077 0.086 0.105
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0091 0.009
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0077 0.086 0.105
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0355 0.0346
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0419 0.5168 1
Plasmodium vivax vivapain-2 0.0419 0.5168 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0077 0.086 0.1663
Entamoeba histolytica cysteine proteinase, putative 0.0216 0.2607 0.4679
Brugia malayi Cathepsin L-like precursor 0.0281 0.3422 0.6621
Loa Loa (eye worm) hypothetical protein 0.0016 0.0091 0.0174
Loa Loa (eye worm) hypothetical protein 0.0037 0.0355 0.0684
Plasmodium vivax vivapain-2 0.0419 0.5168 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.033 0.0636
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0355 0.0346
Onchocerca volvulus 0.0419 0.5168 1
Entamoeba histolytica cysteine proteinase, putative 0.0419 0.5168 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0419 0.5168 1
Brugia malayi Cathepsin L-like precursor 0.0419 0.5168 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0077 0.086 0.0851
Brugia malayi cathepsin Z-like cysteine proteinase 0.0077 0.086 0.1665
Onchocerca volvulus 0.0037 0.0355 0.0194
Giardia lamblia Cathepsin B precursor 0.0077 0.086 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Giardia lamblia Encystation-specific protease 0.0077 0.086 0.5
Brugia malayi Cathepsin L-like precursor 0.0419 0.5168 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0355 0.0684
Echinococcus multilocularis GPCR, family 2 0.0016 0.0091 0.009
Echinococcus granulosus cathepsin L 0.0216 0.2607 0.2606
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0077 0.086 0.0851
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0077 0.086 0.1649
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0077 0.086 0.105
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0355 0.0345
Leishmania major cathepsin L-like protease 0.0419 0.5168 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0077 0.086 0.1665
Onchocerca volvulus Cathepsin L homolog 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.086 0.1649
Trypanosoma cruzi cysteine proteinase, putative 0.0216 0.2607 0.4678
Trypanosoma cruzi cruzipain precursor, putative 0.0419 0.5168 1
Giardia lamblia Cathepsin L precursor 0.0077 0.086 0.5
Onchocerca volvulus 0.0037 0.0355 0.0194
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0281 0.3422 0.6614
Echinococcus granulosus cathepsin l1 0.0419 0.5168 0.5167
Schistosoma mansoni hypothetical protein 0.0175 0.2095 0.2087
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0077 0.086 0.105
Giardia lamblia Cathepsin L precursor 0.0077 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.086 0.1663
Schistosoma mansoni cathepsin s 0.0139 0.1632 0.1624
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Brugia malayi fibroinase precursor 0.0077 0.086 0.1665
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0355 0.0669
Mycobacterium tuberculosis Conserved protein 0.0037 0.0355 0.1201
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0077 0.086 0.1649
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0281 0.3422 0.6614
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0536 0.1034
Echinococcus granulosus cathepsin L cysteine protease 0.0216 0.2607 0.2606
Brugia malayi Papain family cysteine protease containing protein 0.0419 0.5168 1
Giardia lamblia Cathepsin B precursor 0.0077 0.086 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0077 0.086 0.0851
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0355 0.0687
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0419 0.5168 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0077 0.086 0.1051
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0077 0.086 0.105
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Echinococcus granulosus geminin 0.0175 0.2095 0.2094
Trypanosoma cruzi cysteine peptidase, putative 0.0419 0.5168 1
Brugia malayi CXXC zinc finger family protein 0.003 0.026 0.0503
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.086 0.1649
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0077 0.086 0.0851
Giardia lamblia Cathepsin B precursor 0.0077 0.086 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0077 0.086 0.0851
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 0.2607 0.4678
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0355 0.1201
Loa Loa (eye worm) hypothetical protein 0.0077 0.086 0.1663
Entamoeba histolytica cysteine proteinase 1, putative 0.0216 0.2607 0.4679
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0077 0.086 0.1649
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0355 0.1201
Echinococcus multilocularis cathepsin L cysteine protease 0.0419 0.5168 0.5167
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0355 0.0354
Plasmodium falciparum cysteine proteinase falcipain 1 0.0216 0.2607 0.4054
Schistosoma mansoni cathepsin C 0.0077 0.086 0.0851
Loa Loa (eye worm) hypothetical protein 0.0058 0.0611 0.1179
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0077 0.086 0.105
Giardia lamblia Cathepsin B precursor 0.0077 0.086 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0803 1 1
Plasmodium vivax vivapain-3 0.0216 0.2607 0.4678
Mycobacterium ulcerans beta-lactamase 0.0037 0.0355 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0077 0.086 0.105
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0077 0.086 0.0851
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0536 0.1037
Schistosoma mansoni hypothetical protein 0.0037 0.0355 0.0345
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Plasmodium vivax unspecified product 0.0077 0.086 0.105
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0091 0.0174
Entamoeba histolytica cysteine protease, putative 0.0077 0.086 0.1051
Schistosoma mansoni hypothetical protein 0.0035 0.033 0.032
Entamoeba histolytica cysteine proteinase 2 0.0216 0.2607 0.4679
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.086 0.1649
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0077 0.086 0.1665
Schistosoma mansoni hypothetical protein 0.0016 0.0091 0.0082
Loa Loa (eye worm) beta-lactamase 0.0037 0.0355 0.0684
Plasmodium vivax serine-repeat antigen (SERA) 0.0077 0.086 0.105
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0077 0.086 0.1051
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Trypanosoma cruzi cysteine peptidase, putative 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0419 0.5168 1
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0355 0.1201
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Entamoeba histolytica cysteine proteinase, putative 0.0281 0.3422 0.6372
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0355 0.1201
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0419 0.5168 1
Plasmodium vivax unspecified product 0.0216 0.2607 0.4678
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.086 0.1649
Brugia malayi Papain family cysteine protease containing protein 0.0216 0.2607 0.5044
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0419 0.5168 0.5167
Mycobacterium tuberculosis Conserved protein 0.0037 0.0355 0.1201
Entamoeba histolytica cysteine proteinase, putative 0.0216 0.2607 0.4679
Mycobacterium ulcerans hypothetical protein 0.0037 0.0355 1
Brugia malayi beta-lactamase family protein 0.0037 0.0355 0.0687
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Echinococcus multilocularis ferritin 0.001 0.001 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0077 0.086 0.1649
Trypanosoma cruzi cruzipain precursor, putative 0.0139 0.1632 0.2653
Giardia lamblia Hypothetical protein 0.0077 0.086 0.5
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0419 0.5168 1
Echinococcus granulosus tm gpcr rhodopsin 0.0631 0.7829 0.7828
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0091 0.0177
Onchocerca volvulus Cathepsin L homolog 0.0419 0.5168 1
Entamoeba histolytica cysteine proteinase, putative 0.0216 0.2607 0.4679
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0077 0.086 0.1649
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0077 0.086 0.0851
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0077 0.086 0.5
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0595 0.0499
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0077 0.086 0.105
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Onchocerca volvulus Cathepsin F homolog 0.0419 0.5168 1
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0139 0.1632 0.3156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0419 0.5168 1
Loa Loa (eye worm) hypothetical protein 0.0419 0.5168 1
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Toxoplasma gondii cathepsin B 0.0077 0.086 0.105
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Toxoplasma gondii cathepsin CPC1 0.0077 0.086 0.105
Echinococcus granulosus tumor protein p63 0.0393 0.4838 0.4837
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0216 0.2607 0.5035
Leishmania major cathepsin L-like protease 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0077 0.086 0.1649
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.2885 1
Trypanosoma cruzi cysteine peptidase, putative 0.0139 0.1632 0.2653
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.026 0.0501
Plasmodium vivax vivapain-1 0.0216 0.2607 0.4678
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0077 0.086 0.105
Onchocerca volvulus 0.0281 0.3422 0.6442
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Brugia malayi hypothetical protein 0.0037 0.0355 0.0686
Brugia malayi Cathepsin L-like cysteine proteinase 0.0281 0.3422 0.6621
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0091 0.0177
Giardia lamblia Cathepsin L-like protease 0.0077 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.1632 0.3156
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0077 0.086 0.0851
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.086 0.1649
Echinococcus multilocularis cathepsin b 0.0077 0.086 0.0859
Loa Loa (eye worm) hypothetical protein 0.0037 0.0355 0.0684
Echinococcus multilocularis cathepsin b 0.0077 0.086 0.0859
Loa Loa (eye worm) hypothetical protein 0.0077 0.086 0.1663
Trypanosoma cruzi cysteine peptidase, putative 0.0419 0.5168 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0355 0.0353
Entamoeba histolytica cysteine proteinase, putative 0.0216 0.2607 0.4679
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0077 0.086 0.5
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0077 0.086 0.105
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0077 0.086 0.0851
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0355 0.0684
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.001 0.5
Leishmania major cathepsin L-like protease 0.0419 0.5168 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0419 0.5168 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0216 0.2607 0.4678
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.086 0.1649
Schistosoma mansoni hypothetical protein 0.0016 0.0091 0.0082
Echinococcus granulosus cathepsin b 0.0077 0.086 0.0859
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0077 0.086 0.105
Echinococcus granulosus dnaJ subfamily B 0.0424 0.5219 0.5219
Giardia lamblia Cysteine protease 0.0077 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0281 0.3422 0.662
Loa Loa (eye worm) hypothetical protein 0.0139 0.1632 0.3156
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0077 0.086 0.1649
Brugia malayi beta-lactamase family protein 0.0037 0.0355 0.0687
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0077 0.086 0.0851
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0355 0.1201
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0077 0.086 0.0851
Trypanosoma cruzi cysteine peptidase, putative 0.0419 0.5168 1
Schistosoma mansoni cellular tumor antigen P53 0.0058 0.0611 0.0601
Loa Loa (eye worm) fibroinase 0.0419 0.5168 1
Giardia lamblia Cysteine protease 0.0077 0.086 0.5
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0281 0.3422 0.6372
Brugia malayi Papain family cysteine protease containing protein 0.0216 0.2607 0.5044
Giardia lamblia Cathepsin B precursor 0.0077 0.086 0.5
Echinococcus multilocularis geminin 0.0175 0.2095 0.2094
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0419 0.5168 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0355 1
Schistosoma mansoni cpg binding protein 0.003 0.026 0.025
Brugia malayi cathepsin B-like cysteine proteinase 0.0077 0.086 0.1665
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.086 0.1649
Onchocerca volvulus Cathepsin L homolog 0.0077 0.086 0.1223
Onchocerca volvulus 0.0419 0.5168 1
Giardia lamblia Cathepsin L-like protease 0.0077 0.086 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0077 0.086 0.1649
Trichomonas vaginalis esterase, putative 0.0037 0.0355 0.0669
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0419 0.5168 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Schistosoma mansoni hypothetical protein 0.0175 0.2095 0.2087
Entamoeba histolytica cysteine protease, putative 0.0077 0.086 0.1051
Trypanosoma cruzi cysteine peptidase, putative 0.0216 0.2607 0.4678
Brugia malayi beta-lactamase 0.0037 0.0355 0.0687
Onchocerca volvulus 0.0037 0.0355 0.0194
Schistosoma mansoni cathepsin S (C01 family) 0.0077 0.086 0.0851
Echinococcus multilocularis expressed protein 0.001 0.001 0.0008
Loa Loa (eye worm) hypothetical protein 0.0281 0.3422 0.662
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0355 0.0669
Brugia malayi cathepsin L-like precursor 0.0281 0.3422 0.6621
Loa Loa (eye worm) hypothetical protein 0.0037 0.0355 0.0684
Schistosoma mansoni microtubule-associated protein tau 0.0803 1 1
Loa Loa (eye worm) hypothetical protein 0.0281 0.3422 0.662
Entamoeba histolytica cysteine proteinase, putative 0.0419 0.5168 1
Giardia lamblia Hypothetical protein 0.0077 0.086 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0419 0.5168 0.5167
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0077 0.086 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0216 0.2607 0.4678
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0077 0.086 0.1663
Echinococcus multilocularis cathepsin L 0.0077 0.086 0.0859
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Loa Loa (eye worm) hypothetical protein 0.0077 0.086 0.1663
Leishmania major cathepsin L-like protease 0.0419 0.5168 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0091 0.009
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0077 0.086 0.1649
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.086 0.1649
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0077 0.086 0.1663
Echinococcus multilocularis cathepsin L cysteine protease 0.0419 0.5168 0.5167
Loa Loa (eye worm) cathepsin B 0.0077 0.086 0.1663
Echinococcus multilocularis cpg binding protein 0.0031 0.0281 0.028
Echinococcus multilocularis cysteine protease 0.0419 0.5168 0.5167
Brugia malayi Cathepsin L-like precursor 0.0419 0.5168 1
Echinococcus multilocularis cysteine protease 0.0419 0.5168 0.5167
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0077 0.086 0.105
Loa Loa (eye worm) hypothetical protein 0.0037 0.0355 0.0684
Onchocerca volvulus 0.0419 0.5168 1
Leishmania major cathepsin L-like protease 0.0419 0.5168 1
Mycobacterium ulcerans lipase LipD 0.0037 0.0355 1
Echinococcus multilocularis cathepsin L 0.0216 0.2607 0.2606
Echinococcus granulosus cathepsin b 0.0077 0.086 0.0859
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0419 0.5168 1
Echinococcus granulosus cathepsin l1 0.0281 0.3422 0.3421
Loa Loa (eye worm) hypothetical protein 0.0037 0.0355 0.0684
Onchocerca volvulus 0.0419 0.5168 1
Schistosoma mansoni hypothetical protein 0.0016 0.0091 0.0082
Brugia malayi cathepsin F-like cysteine proteinase 0.0139 0.1632 0.3158
Echinococcus granulosus expressed protein 0.001 0.001 0.0008
Echinococcus granulosus cysteine protease 0.0216 0.2607 0.2606
Loa Loa (eye worm) hypothetical protein 0.0077 0.086 0.1663
Entamoeba histolytica cysteine protease, putative 0.0419 0.5168 1
Entamoeba histolytica cysteine protease, putative 0.0216 0.2607 0.4679
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0631 0.7829 0.7828

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 Intrinsic agonist activity of the compound in guinea Pig Ileum (GPI) was determined; No ChEMBL. 2903246
Activity (functional) = 0 Antagonism of PL017-induced inhibition of electrically induced contraction of guinea Pig Ileum (GPI); Yes ChEMBL. 2903246
IC50 (binding) = 1.4 nM Binding affinity in competition with [3H]- CTOP in Opioid receptor mu 1 binding to rat brain membrane ChEMBL. 2903246
IC50 (binding) = 15954 nM Binding affinity in competition with [3H]- DPDPE in Opioid receptor delta 1 binding to rat brain membrane ChEMBL. 2903246
IC50 (binding) = 20403 nM Binding affinity in competition with [125I]- CGP23,996 in somatostatin receptor binding to rat brain membrane ChEMBL. 2903246
pA2 (functional) = 7.38 Negative logarithm of antagonist concentration that requires doubling of antagonist concentration to induce original agonist response ChEMBL. 2903246
Ratio (binding) = 11396 Ratio of selective binding affinity of mu receptor to that of delta opioid receptor ChEMBL. 2903246
Ratio (binding) = 14574 Ratio of selective binding affinity of mu receptor to that of somatostatin receptor ChEMBL. 2903246

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.

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