Detailed information for compound 236269

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.515 | Formula: C25H29N3O4
  • H donors: 3 H acceptors: 3 LogP: 3.98 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@H](CC)C)NC(=O)OCc1ccccc1
  • InChi: 1S/C25H29N3O4/c1-3-17(2)23(28-25(31)32-16-18-9-5-4-6-10-18)24(30)27-20(15-29)13-19-14-26-22-12-8-7-11-21(19)22/h4-12,14-15,17,20,23,26H,3,13,16H2,1-2H3,(H,27,30)(H,28,31)/t17?,20-,23+/m1/s1
  • InChiKey: BUXZFLJETAQWPU-KLXHUVPASA-N  

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 Neurotransmitter-gated ion-channel transmembrane region family protein 0.0103 0.2406 0.5489
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0176 0.0173
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Echinococcus multilocularis irregular chiasm roughest protein immunoglobulin set domain containing protein 0.0099 0.2327 0.2325
Brugia malayi Cathepsin L-like precursor 0.0032 0.0599 0.1365
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.006 0.131 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0103 0.2406 0.2404
Brugia malayi excitatory GABA receptor EXP-1A 0.0103 0.2406 0.5489
Onchocerca volvulus 0.0032 0.0599 0.2375
Plasmodium vivax unspecified product 0.0019 0.0264 0.4322
Entamoeba histolytica cysteine proteinase, putative 0.0023 0.037 0.2886
Echinococcus granulosus Immunoglobulin 0.0099 0.2327 0.2325
Echinococcus multilocularis Immunoglobulin 0.0085 0.196 0.1958
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0032 0.0599 0.4419
Loa Loa (eye worm) hypothetical protein 0.0023 0.037 0.0885
Onchocerca volvulus 0.0047 0.0992 0.4034
Brugia malayi Cathepsin L-like precursor 0.0032 0.0599 0.1365
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0176 0.1098
Echinococcus granulosus low density lipoprotein receptor ldl 0.008 0.1839 0.1836
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0103 0.2406 0.5789
Brugia malayi cathepsin L-like precursor 0.0023 0.037 0.0845
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Onchocerca volvulus 0.0028 0.0498 0.1952
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Onchocerca volvulus 0.0023 0.037 0.1412
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.001 0.0036 0.0027
Loa Loa (eye worm) hypothetical protein 0.0165 0.4018 0.967
Echinococcus granulosus cathepsin l cysteine peptidase 0.0032 0.0599 0.0596
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0103 0.2406 0.5489
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0264 0.0602
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0047 0.0992 0.2382
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0032 0.0599 0.4419
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0103 0.2406 0.5789
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0032 0.0599 0.4419
Echinococcus granulosus neuroglian 0.0085 0.196 0.1958
Loa Loa (eye worm) hypothetical protein 0.0023 0.037 0.0885
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0047 0.0992 0.0989
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0019 0.0264 0.0255
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0103 0.2406 0.5789
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0103 0.2406 0.2404
Brugia malayi Cation transporter family protein 0.0103 0.2406 0.5489
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0176 0.0167
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.001 0.0036 0.0451
Brugia malayi cathepsin B-like cysteine proteinase 0.0171 0.4155 0.9476
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Brugia malayi CXXC zinc finger family protein 0.0028 0.0498 0.1137
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0085 0.196 0.1953
Onchocerca volvulus 0.0055 0.1195 0.4891
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.2406 0.5489
Echinococcus granulosus cathepsin L 0.001 0.0036 0.0033
Trypanosoma cruzi cysteine peptidase, putative 0.0032 0.0599 0.1422
Schistosoma mansoni nAChR subunit 0.0047 0.0992 0.0984
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0103 0.2406 0.24
Loa Loa (eye worm) hypothetical protein 0.0085 0.196 0.4714
Schistosoma mansoni cathepsin F (C01 family) 0.0032 0.0599 0.059
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0264 0.1968
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Brugia malayi Papain family cysteine protease containing protein 0.0032 0.0599 0.1365
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.037 0.2627
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Echinococcus multilocularis cathepsin b 0.0171 0.4155 0.4153
Brugia malayi fibroinase precursor 0.001 0.0036 0.0081
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0103 0.2406 0.5489
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0103 0.2406 0.5489
Entamoeba histolytica cysteine protease, putative 0.0032 0.0599 0.4854
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.4155 0.415
Onchocerca volvulus 0.0103 0.2406 1
Onchocerca volvulus 0.0103 0.2406 1
Onchocerca volvulus 0.0032 0.0599 0.2375
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0103 0.2406 0.2404
Brugia malayi Immunoglobulin I-set domain containing protein 0.0099 0.2327 0.5307
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0176 0.0173
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0036 0.0081
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0047 0.0992 0.2262
Schistosoma mansoni hypothetical protein 0.0099 0.2327 0.232
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Brugia malayi Cathepsin L-like precursor 0.0032 0.0599 0.1365
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0103 0.2406 0.24
Brugia malayi Cathepsin L-like precursor 0.0032 0.0599 0.1365
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.001 0.0036 0.0027
Echinococcus granulosus nAChR subunit 0.0103 0.2406 0.2404
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0103 0.2406 0.5489
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Echinococcus multilocularis Immunoglobulin 0.0185 0.4506 0.4504
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0019 0.0264 0.0255
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0032 0.0599 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0079
Loa Loa (eye worm) hypothetical protein 0.0055 0.1195 0.2872
Entamoeba histolytica cysteine proteinase, putative 0.0032 0.0599 0.4854
Schistosoma mansoni cell adhesion molecule 0.0085 0.196 0.1953
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0079
Loa Loa (eye worm) hypothetical protein 0.0085 0.196 0.4714
Loa Loa (eye worm) GABA receptor subunit 0.0055 0.1195 0.2872
Loa Loa (eye worm) hypothetical protein 0.0085 0.196 0.4714
Schistosoma mansoni nAChR subunit 0.0047 0.0992 0.0984
Brugia malayi Cathepsin L-like precursor 0.0009 0.0009 0.0021
Schistosoma mansoni acetylcholine receptor subunit beta 0.0047 0.0992 0.0984
Schistosoma mansoni nAChR subunit 0.0103 0.2406 0.24
Echinococcus granulosus cpg binding protein 0.003 0.0539 0.0537
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.2406 0.5489
Brugia malayi cathepsin L-like cysteine proteinase 0.001 0.0036 0.0081
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0103 0.2406 0.2404
Brugia malayi Cation transporter family protein 0.0103 0.2406 0.5489
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0085 0.196 0.1958
Giardia lamblia Cathepsin B precursor 0.006 0.131 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0036 0.0081
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0032 0.0599 0.4419
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0176 0.04
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0047 0.0992 0.0989
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0264 0.0779
Leishmania major cathepsin L-like protease 0.0032 0.0599 0.373
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.2406 0.5489
Loa Loa (eye worm) hypothetical protein 0.0009 0.0009 0.0015
Trypanosoma brucei cysteine peptidase C (CPC) 0.006 0.131 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0171 0.4155 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.001 0.0036 0.0079
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0176 0.2824
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Onchocerca volvulus 0.0032 0.0599 0.2375
Brugia malayi isocitrate dehydrogenase 0.0015 0.0176 0.04
Echinococcus multilocularis cathepsin L 0.001 0.0036 0.0033
Echinococcus granulosus nephrin 0.0099 0.2327 0.2325
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1303 0.1295
Echinococcus multilocularis dnaJ subfamily B 0.0399 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0032 0.0599 0.1422
Echinococcus multilocularis hemicentin 1 0.008 0.1839 0.1836
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0103 0.2406 0.5789
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Giardia lamblia Cathepsin B precursor 0.006 0.131 1
Echinococcus multilocularis cathepsin b 0.0171 0.4155 0.4153
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0103 0.2406 0.2404
Loa Loa (eye worm) hypothetical protein 0.0085 0.196 0.4714
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.008 0.1839 0.1836
Plasmodium falciparum cysteine proteinase falcipain 1 0.0019 0.0264 0.4054
Echinococcus multilocularis roundabout 2 0.0085 0.196 0.1958
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0085 0.196 0.1953
Plasmodium vivax serine-repeat antigen (SERA), putative 0.001 0.0036 0.0451
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0047 0.0992 0.2262
Onchocerca volvulus Putative titin 0.008 0.1839 0.7605
Echinococcus multilocularis cpg binding protein 0.003 0.0539 0.0537
Loa Loa (eye worm) hypothetical protein 0.0171 0.4155 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0032 0.0599 0.0596
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0085 0.196 0.1958
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Loa Loa (eye worm) hypothetical protein 0.0055 0.1195 0.2872
Plasmodium vivax serine-repeat antigen (SERA), putative 0.001 0.0036 0.0451
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0176 0.0416
Trypanosoma cruzi cysteine protease, putative 0.0019 0.0264 0.0615
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0103 0.2406 0.5789
Echinococcus multilocularis conserved hypothetical protein 0.0099 0.2327 0.2325
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.001 0.0036 0.0027
Leishmania major cathepsin L-like protease 0.0032 0.0599 0.373
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0103 0.2406 0.5489
Echinococcus multilocularis geminin 0.0165 0.4014 0.4013
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0009 0.0009 0.0021
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.001 0.0036 0.0027
Plasmodium vivax vivapain-3 0.0019 0.0264 0.4322
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.001 0.0036 0.0451
Entamoeba histolytica hypothetical protein 0.0055 0.1195 1
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.008 0.1839 0.1831
Brugia malayi Immunoglobulin I-set domain containing protein 0.0085 0.196 0.447
Onchocerca volvulus 0.008 0.1839 0.7605
Brugia malayi Immunoglobulin I-set domain containing protein 0.0099 0.2327 0.5307
Schistosoma mansoni nAChR subunit 0.0103 0.2406 0.24
Schistosoma mansoni nAChR subunit 0.0103 0.2406 0.24
Loa Loa (eye worm) hypothetical protein 0.0023 0.037 0.0885
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0055 0.1195 0.2726
Brugia malayi hypothetical protein 0.0085 0.196 0.447
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.001 0.0036 0.0027
Leishmania major cathepsin L-like protease 0.0032 0.0599 0.373
Brugia malayi Fibronectin type III domain containing protein 0.0085 0.196 0.447
Loa Loa (eye worm) ACC-1 protein 0.0103 0.2406 0.5789
Onchocerca volvulus 0.0032 0.0599 0.2375
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0019 0.0264 0.0255
Leishmania major cathepsin L-like protease 0.0032 0.0599 0.373
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0047 0.0992 0.2382
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0103 0.2406 0.2404
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Loa Loa (eye worm) hypothetical protein 0.0085 0.196 0.4714
Loa Loa (eye worm) hypothetical protein 0.0009 0.0009 0.0015
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0103 0.2406 0.24
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.006 0.131 0.3137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Brugia malayi Cathepsin L-like precursor 0.0023 0.037 0.0845
Loa Loa (eye worm) hypothetical protein 0.0055 0.1195 0.2872
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0055 0.1195 0.1187
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.001 0.0036 0.0451
Onchocerca volvulus 0.008 0.1839 0.7605
Echinococcus granulosus nAChR subunit 0.0055 0.1195 0.1193
Schistosoma mansoni cathepsin B (C01 family) 0.001 0.0036 0.0027
Loa Loa (eye worm) hypothetical protein 0.0055 0.1195 0.2872
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.001 0.0036 0.0451
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0055 0.1195 0.2726
Brugia malayi hypothetical protein 0.0047 0.0992 0.2262
Echinococcus multilocularis cathepsin L cysteine protease 0.0032 0.0599 0.0596
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Loa Loa (eye worm) LGC-31 protein 0.0103 0.2406 0.5789
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.001 0.0036 0.0451
Schistosoma mansoni cpg binding protein 0.003 0.0539 0.0531
Plasmodium vivax vivapain-1 0.0019 0.0264 0.4322
Trypanosoma cruzi major cysteine proteinase, putative 0.001 0.0036 0.0064
Brugia malayi cathepsin Z-like cysteine proteinase 0.001 0.0036 0.0081
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0099 0.2327 0.5597
Brugia malayi Cathepsin L-like precursor 0.0032 0.0599 0.1365
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0032 0.0599 0.4419
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0047 0.0992 0.2262
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0032 0.0599 0.0596
Schistosoma mansoni hypothetical protein 0.008 0.1839 0.1831
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0264 0.1791
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0099 0.2327 0.5597
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0019 0.0264 0.0615
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0176 0.0402
Onchocerca volvulus 0.0047 0.0992 0.4034
Schistosoma mansoni nAChR subunit 0.0103 0.2406 0.24
Echinococcus granulosus glycine receptor subunit alpha 1 0.0103 0.2406 0.2404
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0047 0.0992 0.2262
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Onchocerca volvulus 0.0103 0.2406 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0019 0.0264 0.1968
Echinococcus granulosus twitchin 0.0085 0.196 0.1958
Brugia malayi cathepsin L precursor 0.001 0.0036 0.0081
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Leishmania major cathepsin L-like protease 0.0032 0.0599 0.373
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Loa Loa (eye worm) acetylcholine receptor protein 0.0047 0.0992 0.2382
Loa Loa (eye worm) hypothetical protein 0.0085 0.196 0.4714
Schistosoma mansoni nAChR subunit 0.0103 0.2406 0.24
Echinococcus granulosus cathepsin L 0.0019 0.0264 0.0261
Trypanosoma cruzi major cysteine proteinase, putative 0.001 0.0036 0.0064
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0264 0.1968
Onchocerca volvulus Cathepsin L homolog 0.0032 0.0599 0.2375
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.006 0.131 1
Echinococcus multilocularis neuroglian 0.0085 0.196 0.1958
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0176 0.0173
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Schistosoma mansoni hypothetical protein 0.0399 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0176 0.0173
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Leishmania major cathepsin L-like protease 0.0032 0.0599 0.373
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.037 0.2627
Schistosoma mansoni neurotransmitter gated ion channel 0.0047 0.0992 0.0984
Trypanosoma cruzi cysteine proteinase, putative 0.0019 0.0264 0.0615
Brugia malayi hypothetical protein 0.0047 0.0992 0.2262
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0079
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.001 0.0036 0.0027
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Echinococcus granulosus glycine receptor subunit alpha 1 0.0103 0.2406 0.2404
Echinococcus multilocularis nAChR subunit 0.0103 0.2406 0.2404
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0264 0.0779
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.2406 0.5489
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0176 0.0173
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0264 0.0615
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0032 0.0599 0.4419
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0036 0.0081
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Brugia malayi cathepsin F-like cysteine proteinase 0.0009 0.0009 0.0021
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Schistosoma mansoni nephrin 0.0085 0.196 0.1953
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0047 0.0992 0.0989
Plasmodium vivax unspecified product 0.001 0.0036 0.0451
Schistosoma mansoni hypothetical protein 0.0165 0.4014 0.4009
Loa Loa (eye worm) hypothetical protein 0.0055 0.1195 0.2872
Onchocerca volvulus 0.0032 0.0599 0.2375
Brugia malayi cathepsin Z-like cysteine proteinase 0.001 0.0036 0.0081
Schistosoma mansoni titin 0.008 0.1839 0.1831
Onchocerca volvulus Cathepsin F homolog 0.0032 0.0599 0.2375
Loa Loa (eye worm) fibroinase 0.0032 0.0599 0.1435
Loa Loa (eye worm) hypothetical protein 0.0055 0.1195 0.2872
Loa Loa (eye worm) hypothetical protein 0.0055 0.1195 0.2872
Schistosoma mansoni hypothetical protein 0.0165 0.4014 0.4009
Toxoplasma gondii cathepsin CPL 0.0032 0.0599 0.4419
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Trypanosoma cruzi cysteine peptidase, putative 0.0032 0.0599 0.1422
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.001 0.0036 0.0451
Brugia malayi cahepsin L-like non-peptiedase homolog 0.001 0.0036 0.0081
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0032 0.0599 0.4419
Onchocerca volvulus 0.0047 0.0992 0.4034
Brugia malayi Immunoglobulin I-set domain containing protein 0.0085 0.196 0.447
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0176 0.2486
Brugia malayi Cathepsin L-like precursor 0.0023 0.037 0.0845
Echinococcus granulosus glycine receptor subunit beta 0.0103 0.2406 0.2404
Echinococcus granulosus roundabout 2 0.0085 0.196 0.1958
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Schistosoma mansoni cathepsin C 0.001 0.0036 0.0027
Schistosoma mansoni cathepsin S (C01 family) 0.001 0.0036 0.0027
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0103 0.2406 0.2404
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0103 0.2406 0.2404
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0047 0.0992 0.2262
Loa Loa (eye worm) cathepsin B 0.006 0.131 0.3147
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0009 0.0009 0.0015
Loa Loa (eye worm) cysteine protease 0.0032 0.0599 0.1435
Schistosoma mansoni vesicular amine transporter 0.0085 0.196 0.1953
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0171 0.4155 0.415
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.001 0.0036 0.0451
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0032 0.0599 0.4419
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0103 0.2406 0.5489
Echinococcus granulosus cathepsin L cysteine proteinase 0.0032 0.0599 0.0596
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.114 0.867
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.131 0.1302
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Schistosoma mansoni hypothetical protein 0.0099 0.2327 0.232
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.001 0.0036 0.0027
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0103 0.2406 0.5489
Onchocerca volvulus Netrin receptor homolog 0.008 0.1839 0.7605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Brugia malayi Cathepsin L-like precursor 0.0032 0.0599 0.1365
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0176 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0103 0.2406 0.2404
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0103 0.2406 0.24
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.001 0.0036 0.0027
Loa Loa (eye worm) hypothetical protein 0.0055 0.1195 0.2872
Brugia malayi Cation transporter family protein 0.0103 0.2406 0.5489
Onchocerca volvulus 0.008 0.1839 0.7605
Loa Loa (eye worm) ACC-1 protein 0.0103 0.2406 0.5789
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0032 0.0599 0.1435
Loa Loa (eye worm) hypothetical protein 0.0085 0.196 0.4714
Onchocerca volvulus 0.0032 0.0599 0.2375
Leishmania major cysteine peptidase A (CPA) 0.0032 0.0599 0.373
Schistosoma mansoni cpg binding protein 0.003 0.0539 0.0531
Onchocerca volvulus 0.008 0.1839 0.7605
Schistosoma mansoni neurotransmitter gated ion channel 0.0055 0.1195 0.1187
Plasmodium vivax serine-repeat antigen (SERA) 0.001 0.0036 0.0451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Echinococcus granulosus nephrin 0.0099 0.2327 0.2325
Loa Loa (eye worm) papain family cysteine protease containing protein 0.001 0.0036 0.0079
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0055 0.1195 0.1187
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Brugia malayi cathepsin F-like cysteine proteinase 0.001 0.0036 0.0081
Loa Loa (eye worm) ctsf protein 0.0032 0.0599 0.1435
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0103 0.2406 0.2404
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0103 0.2406 0.24
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.4155 0.415
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0171 0.4155 0.415
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.2406 0.5489
Schistosoma mansoni nAChR subunit 0.0103 0.2406 0.24
Echinococcus granulosus defective proboscis extension response 0.0085 0.196 0.1958
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.001 0.0036 0.0027
Echinococcus granulosus irregular chiasm roughest protein 0.0099 0.2327 0.2325
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0176 0.0402
Loa Loa (eye worm) hypothetical protein 0.0085 0.196 0.4714
Onchocerca volvulus 0.0055 0.1195 0.4891
Brugia malayi hypothetical protein 0.0047 0.0992 0.2262
Echinococcus multilocularis nephrin 0.0099 0.2327 0.2325
Plasmodium vivax vivapain-2 0.0032 0.0599 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Leishmania major cathepsin L-like protease 0.0032 0.0599 0.373
Brugia malayi hypothetical protein 0.018 0.4385 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0103 0.2406 0.2404
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0047 0.0992 0.0989
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0103 0.2406 0.2404
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Echinococcus multilocularis cysteine protease 0.0032 0.0599 0.0596
Echinococcus multilocularis cysteine protease 0.0032 0.0599 0.0596
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0264 0.0602
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Echinococcus granulosus glycine receptor subunit alpha 1 0.0103 0.2406 0.2404
Plasmodium vivax serine-repeat antigen (SERA) 0.001 0.0036 0.0451
Trypanosoma cruzi cysteine proteinase, putative 0.0019 0.0264 0.0615
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Loa Loa (eye worm) hypothetical protein 0.0032 0.0599 0.1435
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0079
Plasmodium vivax vivapain-2 0.0032 0.0599 1
Entamoeba histolytica cysteine proteinase, putative 0.0032 0.0599 0.4854
Echinococcus granulosus cathepsin L cysteine protease 0.0019 0.0264 0.0261
Schistosoma mansoni nAChR subunit 0.0103 0.2406 0.24
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Echinococcus multilocularis cathepsin L 0.0019 0.0264 0.0261
Schistosoma mansoni cathepsin F (C01 family) 0.0023 0.037 0.0362
Brugia malayi hypothetical protein 0.0047 0.0992 0.2262
Echinococcus granulosus cysteine protease 0.0019 0.0264 0.0261
Echinococcus granulosus geminin 0.0165 0.4014 0.4013
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Onchocerca volvulus Putative nachr subunit 0.0103 0.2406 1
Echinococcus granulosus Immunoglobulin 0.0085 0.196 0.1958
Plasmodium falciparum cysteine proteinase falcipain 3 0.0032 0.0599 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0023 0.037 0.0871
Echinococcus granulosus cathepsin b 0.0171 0.4155 0.4153
Loa Loa (eye worm) hypothetical protein 0.0009 0.0009 0.0015
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0103 0.2406 0.2404
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0032 0.0599 0.4419
Trypanosoma cruzi cysteine peptidase, putative 0.0032 0.0599 0.1422
Schistosoma mansoni neurotransmitter gated ion channel 0.0047 0.0992 0.0984
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0103 0.2406 0.2404
Toxoplasma gondii cathepsin B 0.006 0.131 1
Onchocerca volvulus 0.0103 0.2406 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0032 0.0599 0.4419
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0176 0.1098
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0103 0.2406 0.24
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0103 0.2406 0.5489
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0032 0.0599 0.4419
Echinococcus multilocularis cathepsin L cysteine protease 0.0032 0.0599 0.0596
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0103 0.2406 0.5789
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0103 0.2406 0.2404
Loa Loa (eye worm) papain family cysteine protease containing protein 0.001 0.0036 0.0079
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0103 0.2406 0.2404
Schistosoma mansoni cpg binding protein 0.0028 0.0498 0.049
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.001 0.0036 0.0451
Echinococcus granulosus cathepsin b 0.0171 0.4155 0.4153
Onchocerca volvulus 0.0032 0.0599 0.2375
Echinococcus multilocularis nAChR subunit 0.0055 0.1195 0.1193
Onchocerca volvulus Tyrosine kinase homolog 0.008 0.1839 0.7605
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0079
Loa Loa (eye worm) hypothetical protein 0.001 0.0036 0.0079
Echinococcus multilocularis glycine receptor subunit beta 0.0103 0.2406 0.2404
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Onchocerca volvulus Basement membrane proteoglycan homolog 0.008 0.1839 0.7605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0264 0.1791
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0176 0.0173
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0498 0.1193
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0264 0.1968
Onchocerca volvulus 0.0103 0.2406 1
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0047 0.0992 0.2262
Echinococcus granulosus cathepsin l1 0.0032 0.0599 0.0596
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Loa Loa (eye worm) hypothetical protein 0.0047 0.0992 0.2382
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0264 0.1968
Loa Loa (eye worm) hypothetical protein 0.0055 0.1195 0.2872
Echinococcus granulosus cathepsin l1 0.0023 0.037 0.0368
Echinococcus multilocularis glycine receptor subunit beta 0.0103 0.2406 0.2404
Trypanosoma cruzi cysteine peptidase, putative 0.0032 0.0599 0.1422
Echinococcus granulosus hemicentin 1 0.008 0.1839 0.1836
Giardia lamblia Cathepsin B precursor 0.006 0.131 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0032 0.0599 0.373
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0085 0.196 0.4714
Echinococcus granulosus glycine receptor subunit beta 0.0103 0.2406 0.2404
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0032 0.0599 0.4419
Entamoeba histolytica cysteine proteinase 2 0.0019 0.0264 0.1968
Leishmania major cathepsin L-like protease 0.0032 0.0599 0.373
Schistosoma mansoni cathepsin F (C01 family) 0.0032 0.0599 0.059
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0055 0.1195 0.2726
Brugia malayi hypothetical protein 0.0047 0.0992 0.2262
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0103 0.2406 0.5489
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0047 0.0992 0.0989
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0032 0.0599 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0103 0.2406 0.2404
Onchocerca volvulus Cathepsin L homolog 0.0032 0.0599 0.2375
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0032 0.0599 0.1435
Echinococcus granulosus contactin 0.008 0.1839 0.1836
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0103 0.2406 0.5489
Brugia malayi Cathepsin L-like cysteine proteinase 0.0023 0.037 0.0845
Onchocerca volvulus 0.0103 0.2406 1
Entamoeba histolytica cysteine protease, putative 0.0019 0.0264 0.1968
Schistosoma mansoni acetylcholine receptor-related 0.0047 0.0992 0.0984
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0055 0.1195 0.2726
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0103 0.2406 0.2404
Loa Loa (eye worm) hypothetical protein 0.0103 0.2406 0.5789

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.1 nM Inhibition of human cathepsin L. ChEMBL. 9784105
IC50 (binding) = 530 nM Inhibition of human cathepsin B ChEMBL. 9784105
Ratio (binding) = 74 Ratio of IC50 for Cathepsin B to that for Cathepsin L ChEMBL. 9784105

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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