Detailed information for compound 270898

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 864.082 | Formula: C46H69N7O9
  • H donors: 7 H acceptors: 8 LogP: 3.25 Rotable bonds: 33
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)NCCCC(=O)NC(C(CC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)Cc1ccccc1)CC(C)C)O)CC(C)C)Cc1ccccc1
  • InChi: 1S/C46H69N7O9/c1-30(2)25-34(39(54)29-41(56)50-35(26-31(3)4)44(59)52-37(46(61)62-5)28-33-17-10-7-11-18-33)49-40(55)20-13-23-48-43(58)36(27-32-15-8-6-9-16-32)51-45(60)38-19-14-24-53(38)42(57)21-12-22-47/h6-11,15-18,30-31,34-39,54H,12-14,19-29,47H2,1-5H3,(H,48,58)(H,49,55)(H,50,56)(H,51,60)(H,52,59)/t34?,35-,36-,37-,38-,39?/m0/s1
  • InChiKey: MIDSCNPYWQVXPP-MBVAUQSHSA-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 2b 0.0066 0.1831 0.4597
Leishmania major cathepsin L-like protease 0.0066 0.1831 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0028 0.0515 0.0515
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0515 0.2493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.1077 0.5065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0515 0.1019
Brugia malayi aspartic protease BmAsp-2, identical 0.0028 0.0513 0.1004
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0515 0.0515
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0013 0.0006 0.0011
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0044 0.1077 0.5065
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0015 0.0061 0.0267
Brugia malayi cathepsin L-like precursor 0.0044 0.1077 0.2119
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1831 1
Plasmodium falciparum plasmepsin VII 0.0028 0.0513 0.1174
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1831 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Echinococcus granulosus solute carrier family 22 0.0015 0.0061 0.0293
Mycobacterium ulcerans integral membrane transport protein 0.0015 0.0061 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Leishmania major cathepsin L-like protease 0.0066 0.1831 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0015 0.0061 0.0267
Brugia malayi photoreceptor-specific nuclear receptor 0.0028 0.0515 0.1009
Plasmodium falciparum plasmepsin V 0.0028 0.0513 0.1174
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0015 0.0061 0.0267
Brugia malayi hypothetical protein 0.0015 0.0061 0.0109
Onchocerca volvulus 0.0066 0.1831 0.389
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0066 0.1831 0.8854
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0073 0.2067 0.2067
Loa Loa (eye worm) hypothetical protein 0.0022 0.0304 0.0601
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0515 0.1009
Schistosoma mansoni cathepsin D (A01 family) 0.0303 1 1
Onchocerca volvulus 0.0028 0.0515 0.1087
Loa Loa (eye worm) hypothetical protein 0.0016 0.0087 0.0171
Plasmodium falciparum plasmepsin VI 0.0073 0.2067 0.521
Schistosoma mansoni glucose transporter 0.0015 0.0061 0.0061
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0034 0.0725 0.0725
Echinococcus granulosus cathepsin l1 0.0044 0.1077 0.521
Loa Loa (eye worm) nuclear receptor NHR-67 0.0013 0.0006 0.0011
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0028 0.0515 0.1009
Echinococcus multilocularis solute carrier family 22 0.0015 0.0061 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0515 0.1019
Onchocerca volvulus 0.0015 0.0061 0.0117
Schistosoma mansoni sugar transporter 0.0015 0.0061 0.0061
Echinococcus granulosus cathepsin L cysteine proteinase 0.0066 0.1831 0.8857
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0028 0.0515 0.1087
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0013 0.0006 0.0027
Echinococcus granulosus cathepsin l1 0.0066 0.1831 0.8857
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0028 0.0515 0.0515
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0515 0.1009
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0028 0.0515 0.1009
Schistosoma mansoni hypothetical protein 0.0015 0.0061 0.0061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0028 0.0513 0.1013
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0015 0.0061 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Echinococcus granulosus synaptic vesicle 2 protein 0.0015 0.0061 0.0293
Schistosoma mansoni memapsin-2 (A01 family) 0.0028 0.0513 0.0513
Loa Loa (eye worm) hypothetical protein 0.0028 0.0515 0.1019
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.0515 0.2473
Loa Loa (eye worm) hypothetical protein 0.0015 0.006 0.0119
Plasmodium falciparum plasmepsin I 0.0073 0.2067 0.521
Schistosoma mansoni sugar transporter 0.0015 0.0061 0.0061
Plasmodium vivax vivapain-2 0.0066 0.1831 0.4597
Echinococcus granulosus nuclear receptor nhr 48 0.0013 0.0006 0.0027
Trypanosoma cruzi cysteine proteinase, putative 0.0034 0.0725 0.3754
Brugia malayi Sugar transporter family protein 0.0015 0.0061 0.0109
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0725 0.3312
Brugia malayi ecdysteroid receptor 0.0028 0.0515 0.1009
Plasmodium falciparum plasmepsin IX 0.0126 0.3912 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0028 0.0515 0.2473
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0073 0.2067 1
Brugia malayi hypothetical protein 0.0015 0.006 0.0108
Loa Loa (eye worm) hypothetical protein 0.0015 0.006 0.0119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0515 0.1019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.1831 0.8822
Loa Loa (eye worm) hypothetical protein 0.0015 0.006 0.0119
Onchocerca volvulus Cathepsin L homolog 0.0066 0.1831 0.389
Brugia malayi Papain family cysteine protease containing protein 0.0066 0.1831 0.3611
Brugia malayi Pepsin A precursor 0.0028 0.0513 0.1004
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0066 0.1831 0.4597
Brugia malayi Sugar transporter family protein 0.0015 0.0061 0.0109
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0066 0.1831 0.3618
Brugia malayi major facilitator superfamily protein 0.0015 0.0061 0.0109
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.0515 0.2493
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Onchocerca volvulus 0.0015 0.0061 0.0117
Echinococcus multilocularis synaptic vesicle 2 protein 0.0015 0.0061 0.0267
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.0515 0.2473
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0513 0.0513
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0034 0.0725 0.3754
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1831 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0044 0.1077 0.5741
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0513 0.0513
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0015 0.006 0.0119
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Onchocerca volvulus Putative transporter 0.0015 0.0061 0.0117
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.1831 0.8822
Echinococcus multilocularis cysteine protease 0.0066 0.1831 0.8854
Plasmodium vivax aspartyl proteinase, putative 0.0073 0.2067 0.521
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Mycobacterium ulcerans sugar transporter 0.0015 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Brugia malayi Cathepsin L-like precursor 0.0066 0.1831 0.3611
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0015 0.006 0.006
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0028 0.0515 0.1009
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0028 0.0515 0.1009
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0073 0.2067 0.521
Entamoeba histolytica cysteine proteinase, putative 0.0066 0.1831 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0022 0.0304 0.0591
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0015 0.0061 0.0293
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.006 0.0108
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.1831 0.8822
Schistosoma mansoni nuclear receptor 0.0013 0.0006 0.0006
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0515 0.1019
Echinococcus granulosus Nuclear hormone receptor HR96 0.0013 0.0006 0.0027
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0015 0.0061 0.5
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0061 0.5
Plasmodium vivax aspartyl proteinase, putative 0.0028 0.0513 0.1174
Loa Loa (eye worm) hypothetical protein 0.0028 0.0513 0.1013
Brugia malayi nuclear hormone receptor 0.0028 0.0515 0.1009
Brugia malayi hypothetical protein 0.0028 0.0513 0.1004
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0015 0.0061 0.0267
Plasmodium vivax vivapain-2 0.0066 0.1831 0.4597
Onchocerca volvulus 0.0015 0.0061 0.0117
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0066 0.1831 0.8854
Loa Loa (eye worm) hypothetical protein 0.0028 0.0513 0.1013
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0073 0.2067 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1077 0.2128
Loa Loa (eye worm) hypothetical protein 0.0022 0.0304 0.0601
Onchocerca volvulus Protein ultraspiracle homolog 0.0028 0.0515 0.1087
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0515 0.1009
Entamoeba histolytica cysteine proteinase, putative 0.0044 0.1077 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.1831 0.8822
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Trypanosoma cruzi cysteine peptidase, putative 0.0034 0.0725 0.3754
Echinococcus multilocularis solute carrier family 22 0.0015 0.0061 0.0267
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0515 0.1019
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.1831 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Schistosoma mansoni sugar transporter 0.0015 0.0061 0.0061
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.006 0.0108
Loa Loa (eye worm) hypothetical protein 0.0028 0.0515 0.1019
Loa Loa (eye worm) hypothetical protein 0.0044 0.1077 0.2128
Plasmodium vivax plasmepsin IV, putative 0.0073 0.2067 0.521
Onchocerca volvulus 0.0015 0.0061 0.0117
Brugia malayi nuclear receptor NHR-88 0.0028 0.0515 0.1009
Schistosoma mansoni zinc finger protein 0.0013 0.0006 0.0006
Toxoplasma gondii aspartyl protease 0.0028 0.0513 0.1174
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0513 0.0513
Brugia malayi Cathepsin L-like precursor 0.0066 0.1831 0.3611
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Echinococcus granulosus solute carrier family 22 0.0015 0.0061 0.0293
Echinococcus granulosus roundabout 2 0.0016 0.0087 0.0419
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0015 0.0061 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0034 0.0725 0.0725
Plasmodium falciparum cysteine proteinase falcipain 1 0.0034 0.0725 0.1726
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0513 0.0513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Plasmodium falciparum plasmepsin III 0.0028 0.0513 0.1174
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0515 0.1009
Echinococcus multilocularis cathepsin L cysteine protease 0.0066 0.1831 0.8854
Loa Loa (eye worm) hypothetical protein 0.0028 0.0515 0.1019
Leishmania major cathepsin L-like protease 0.0066 0.1831 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0515 0.1019
Loa Loa (eye worm) sugar transporter 0.0015 0.0061 0.012
Echinococcus granulosus cysteine protease 0.0034 0.0725 0.3508
Brugia malayi hypothetical protein 0.0028 0.0513 0.1004
Brugia malayi nuclear receptor RXR 0.0015 0.006 0.0108
Brugia malayi steroid hormone receptor 0.0028 0.0515 0.1009
Onchocerca volvulus 0.0028 0.0513 0.1081
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Loa Loa (eye worm) hypothetical protein 0.0016 0.0087 0.0171
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.006 0.006
Echinococcus granulosus cathepsin L cysteine protease 0.0034 0.0725 0.3508
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0515 0.0515
Leishmania major cathepsin L-like protease 0.0066 0.1831 1
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.0515 0.2473
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0013 0.0006 0.0006
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Schistosoma mansoni cathepsin F (C01 family) 0.0066 0.1831 0.1831
Brugia malayi Steroid receptor seven-up type 2 0.0028 0.0515 0.1009
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.0515 0.2493
Leishmania major cathepsin L-like protease 0.0066 0.1831 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0015 0.0061 0.0293
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.1831 1
Onchocerca volvulus 0.0066 0.1831 0.389
Onchocerca volvulus 0.0066 0.1831 0.389
Echinococcus granulosus thyroid hormone receptor alpha 0.0013 0.0006 0.0027
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0515 0.2473
Onchocerca volvulus 0.0015 0.0061 0.0117
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.0515 0.2473
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.1831 0.8822
Schistosoma mansoni RAR-like nuclear receptor 0.0028 0.0515 0.0515
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.0515 0.2493
Brugia malayi Cathepsin L-like precursor 0.0066 0.1831 0.3611
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Echinococcus multilocularis solute carrier family 22 0.0015 0.0061 0.0267
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.1831 0.8822
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0013 0.0006 0.0027
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Schistosoma mansoni cathepsin s 0.0022 0.0304 0.0304
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0028 0.0515 0.0515
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.1831 0.8822
Onchocerca volvulus Bile acid receptor homolog 0.0028 0.0515 0.1087
Echinococcus granulosus solute carrier family 22 0.0015 0.0061 0.0293
Echinococcus multilocularis cathepsin L cysteine protease 0.0066 0.1831 0.8854
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0015 0.0061 0.0293
Loa Loa (eye worm) hypothetical protein 0.0028 0.0515 0.1019
Brugia malayi Cathepsin L-like precursor 0.0066 0.1831 0.3611
Brugia malayi Eukaryotic aspartyl protease family protein 0.0028 0.0513 0.1004
Onchocerca volvulus 0.0015 0.0061 0.0117
Echinococcus multilocularis cysteine protease 0.0066 0.1831 0.8854
Trypanosoma cruzi cysteine proteinase, putative 0.0034 0.0725 0.3754
Loa Loa (eye worm) hypothetical protein 0.0028 0.0515 0.1019
Plasmodium falciparum plasmepsin II 0.0073 0.2067 0.521
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Onchocerca volvulus Cathepsin F homolog 0.0066 0.1831 0.389
Onchocerca volvulus 0.0015 0.0061 0.0117
Echinococcus granulosus cathepsin l cysteine peptidase 0.0066 0.1831 0.8857
Plasmodium vivax unspecified product 0.0034 0.0725 0.1726
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.0515 0.2473
Plasmodium falciparum plasmepsin IV 0.0073 0.2067 0.521
Onchocerca volvulus 0.0066 0.1831 0.389
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0015 0.0061 0.0061
Onchocerca volvulus 0.0015 0.0061 0.0117
Plasmodium vivax aspartyl protease, putative 0.0028 0.0513 0.1174
Plasmodium falciparum plasmepsin X 0.0126 0.3912 1
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.0515 0.2493
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0725 0.3312
Brugia malayi Cathepsin L-like precursor 0.0044 0.1077 0.2119
Onchocerca volvulus 0.0066 0.1831 0.389
Entamoeba histolytica cysteine proteinase, putative 0.0066 0.1831 1
Toxoplasma gondii cathepsin CPL 0.0066 0.1831 0.4597
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0061 0.012
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.0515 0.2473
Brugia malayi aspartic protease BmAsp-1, identical 0.0028 0.0513 0.1004
Trypanosoma cruzi cruzipain precursor, putative 0.0022 0.0304 0.1376
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0028 0.0515 0.1009
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Schistosoma mansoni coup transcription factor 0.0028 0.0515 0.0515
Plasmodium vivax unspecified product 0.0022 0.0304 0.0633
Onchocerca volvulus 0.0015 0.0061 0.0117
Onchocerca volvulus 0.0015 0.0061 0.0117
Brugia malayi Cathepsin L-like precursor 0.0044 0.1077 0.2119
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0515 0.2493
Brugia malayi Cathepsin L-like cysteine proteinase 0.0044 0.1077 0.2119
Onchocerca volvulus 0.0015 0.0061 0.0117
Echinococcus multilocularis solute carrier family 22 0.0015 0.0061 0.0267
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0061 0.0109
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0028 0.0515 0.0515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0515 0.1009
Loa Loa (eye worm) hypothetical protein 0.0022 0.0304 0.0601
Leishmania major cathepsin L-like protease 0.0066 0.1831 1
Brugia malayi Cathepsin L-like precursor 0.0022 0.0304 0.0591
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Echinococcus granulosus FTZ F1 alpha 0.0028 0.0515 0.2493
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0028 0.0513 0.1174
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0015 0.0061 0.0293
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.1831 0.8822
Onchocerca volvulus 0.0146 0.458 0.975
Loa Loa (eye worm) hypothetical protein 0.0066 0.1831 0.3618
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0515 0.1009
Loa Loa (eye worm) hypothetical protein 0.0015 0.006 0.0119
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0066 0.1831 0.8822
Schistosoma mansoni nuclear hormone receptor 0.0013 0.0006 0.0006
Brugia malayi Immunoglobulin I-set domain containing protein 0.016 0.5061 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2067 0.4085
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0066 0.1831 0.8822
Onchocerca volvulus Cathepsin L homolog 0.0066 0.1831 0.389
Schistosoma mansoni glucose transport protein 0.0015 0.0061 0.0061
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.0515 0.2493
Plasmodium vivax aspartyl protease, putative 0.0126 0.3912 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.016 0.5061 1
Onchocerca volvulus Tyrosine kinase homolog 0.0149 0.4698 1
Entamoeba histolytica cysteine protease, putative 0.0066 0.1831 1
Echinococcus multilocularis roundabout 2 0.0016 0.0087 0.0393
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0028 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Giardia lamblia Hexose transporter 0.0015 0.0061 0.5
Loa Loa (eye worm) sugar transporter 0.0015 0.0061 0.012
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0015 0.006 0.0265
Onchocerca volvulus 0.0015 0.0061 0.0117
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0034 0.0725 0.3754
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0513 0.0513
Plasmodium vivax aspartyl protease, putative 0.0126 0.3912 1
Brugia malayi Cathepsin L-like precursor 0.0066 0.1831 0.3611
Brugia malayi hypothetical protein 0.0015 0.006 0.0108
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0513 0.0513
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0073 0.2067 0.4085
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0028 0.0515 0.1009
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0015 0.006 0.0291
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0515 0.0515
Echinococcus granulosus Nuclear hormone receptor HR96 0.0013 0.0006 0.0027
Onchocerca volvulus 0.0044 0.1077 0.2283
Loa Loa (eye worm) ctsf protein 0.0066 0.1831 0.3618
Loa Loa (eye worm) hypothetical protein 0.0015 0.006 0.0119
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0515 0.2473
Loa Loa (eye worm) cysteine protease 0.0066 0.1831 0.3618
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Schistosoma mansoni nuclear receptor 0.0013 0.0006 0.0006
Schistosoma mansoni glucose transport protein 0.0015 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Brugia malayi Papain family cysteine protease containing protein 0.0034 0.0725 0.1423
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0028 0.0515 0.1009
Plasmodium falciparum plasmepsin VIII, putative 0.0028 0.0513 0.1174
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0022 0.0304 0.0591
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0515 0.1019
Schistosoma mansoni glucose transport protein 0.0015 0.0061 0.0061
Onchocerca volvulus 0.0015 0.0061 0.0117
Leishmania major cysteine peptidase A (CPA) 0.0066 0.1831 1
Plasmodium vivax vivapain-3 0.0034 0.0725 0.1726
Brugia malayi hypothetical protein 0.0015 0.0061 0.0109
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0515 0.1009
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Onchocerca volvulus 0.0015 0.0061 0.0117
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0066 0.1831 0.3618
Brugia malayi Sugar transporter family protein 0.0015 0.0061 0.0109
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0015 0.0061 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.1077 0.2128
Plasmodium vivax vivapain-1 0.0034 0.0725 0.1726
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0034 0.0725 0.0725
Brugia malayi major facilitator superfamily protein 0.0015 0.0061 0.0109
Onchocerca volvulus 0.0066 0.1831 0.389
Schistosoma mansoni retinoic acid receptor RXR 0.0028 0.0515 0.0515
Plasmodium falciparum cysteine proteinase falcipain 3 0.0066 0.1831 0.4597
Brugia malayi Cathepsin L-like precursor 0.0066 0.1831 0.3611
Leishmania major cathepsin L-like protease 0.0066 0.1831 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Loa Loa (eye worm) aspartyl protease 6 0.0028 0.0513 0.1013
Schistosoma mansoni nuclear receptor nhr-48 0.0013 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0073 0.2067 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0515 0.1019
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0513 0.0513
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0061 0.0109
Toxoplasma gondii aspartyl protease ASP3 0.0126 0.3912 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0013 0.0006 0.0006
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0028 0.0513 0.0513
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0515 0.1019
Schistosoma mansoni cathepsin F (C01 family) 0.0066 0.1831 0.1831
Schistosoma mansoni steroid hormone receptor ad4bp 0.0028 0.0515 0.0515
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Loa Loa (eye worm) hypothetical protein 0.0028 0.0515 0.1019
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0022 0.0304 0.0601
Echinococcus granulosus cathepsin L 0.0034 0.0725 0.3508
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0066 0.1831 0.8822
Leishmania major cathepsin L-like protease 0.0066 0.1831 1
Onchocerca volvulus 0.0066 0.1831 0.389
Echinococcus granulosus Sugar transporter ERD6 protein 0.0015 0.0061 0.0293
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.0515 0.2493
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0304 0.1376
Echinococcus granulosus solute carrier family 22 0.0015 0.0061 0.0293
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Onchocerca volvulus 0.0015 0.0061 0.0117
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0011
Loa Loa (eye worm) fibroinase 0.0066 0.1831 0.3618
Onchocerca volvulus 0.0015 0.0061 0.0117
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Brugia malayi hypothetical protein 0.0015 0.0061 0.0109
Brugia malayi Papain family cysteine protease containing protein 0.0034 0.0725 0.1423
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Loa Loa (eye worm) nuclear hormone receptor 0.0013 0.0006 0.0011
Schistosoma mansoni sugar transporter 0.0015 0.0061 0.0061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0066 0.1831 0.8822
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.1831 1
Schistosoma mansoni cathepsin F (C01 family) 0.0044 0.1077 0.1077
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0061 0.0109
Plasmodium vivax plasmepsin V, putative 0.0028 0.0513 0.1174
Loa Loa (eye worm) DR-78 0.0013 0.0006 0.0011
Loa Loa (eye worm) hypothetical protein 0.0028 0.0515 0.1019
Echinococcus multilocularis cathepsin L 0.0034 0.0725 0.349
Trypanosoma cruzi cysteine protease, putative 0.0034 0.0725 0.3754
Schistosoma mansoni nuclear hormone receptor 0.0013 0.0006 0.0006
Giardia lamblia Sugar-proton symporter 0.0015 0.0061 0.5
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0015 0.0061 0.0267
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.012
Toxoplasma gondii aspartyl protease ASP1 0.0073 0.2067 0.521
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0034 0.0725 0.3754
Onchocerca volvulus 0.0028 0.0513 0.1081
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0061 0.012

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) < 1 nM Inhibition of porcine pepsin at pH 4.0 ChEMBL. 3126296
Ki (binding) = 9 nM Inhibition of human renin at pH 7.4 ChEMBL. 3126296

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

Bibliographic References

1 literature reference was collected for this gene.

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