Detailed information for compound 204835

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 495.61 | Formula: C28H37N3O5
  • H donors: 3 H acceptors: 4 LogP: 4.98 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)C(=O)NCCCc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C
  • InChi: 1S/C28H37N3O5/c1-4-23(25(32)27(34)29-17-11-16-21-12-7-5-8-13-21)30-26(33)24(18-20(2)3)31-28(35)36-19-22-14-9-6-10-15-22/h5-10,12-15,20,23-24H,4,11,16-19H2,1-3H3,(H,29,34)(H,30,33)(H,31,35)
  • InChiKey: SFXFJMNNVMLAHN-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calpain, small subunit 1 Starlite/ChEMBL References
Bos taurus Cathepsin B Starlite/ChEMBL References
Homo sapiens cathepsin B Starlite/ChEMBL References
Homo sapiens calpain 2, (m/II) large subunit Starlite/ChEMBL References
Homo sapiens calpain 1, (mu/I) large subunit References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01363 cathepsin B [EC3.4.22.1], putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania braziliensis cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania infantum cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Toxoplasma gondii cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma brucei cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi cathepsin B-like cysteine proteinase Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni SmCB2 peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania mexicana cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania donovani cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma brucei gambiense cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Neospora caninum Cathepsin B-like protease (Precursor), related Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) Cathepsin B   335 aa 275 aa 32.7 %
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Cathepsin B   335 aa 288 aa 26.4 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 271 aa 24.4 %
Giardia lamblia Cathepsin L precursor Cathepsin B   335 aa 280 aa 25.0 %
Cryptosporidium hominis preprocathepsin c precursor Cathepsin B   335 aa 280 aa 25.7 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 297 aa 23.6 %
Plasmodium knowlesi knowpain-2 Cathepsin B   335 aa 308 aa 23.1 %
Plasmodium berghei dipeptidyl aminopeptidase 2 Cathepsin B   335 aa 311 aa 22.5 %
Plasmodium berghei dipeptidyl aminopeptidase 1, putative Cathepsin B   335 aa 313 aa 25.6 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 297 aa 23.6 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 289 aa 22.8 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 271 aa 25.1 %
Onchocerca volvulus Cathepsin B   335 aa 275 aa 24.7 %
Onchocerca volvulus Cathepsin L homolog Cathepsin B   335 aa 316 aa 25.6 %
Plasmodium vivax dipeptidyl aminopeptidase 2, putative Cathepsin B   335 aa 286 aa 26.6 %
Dictyostelium discoideum cysteine proteinase 5 precursor Cathepsin B   335 aa 271 aa 24.4 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 272 aa 24.6 %
Toxoplasma gondii cathepsin CPC1 Cathepsin B   335 aa 296 aa 28.7 %
Toxoplasma gondii preprocathepsin c precursor, putative Cathepsin B   335 aa 272 aa 24.3 %
Neospora caninum hypothetical protein Cathepsin B   335 aa 303 aa 28.4 %
Plasmodium knowlesi knowpain-4 Cathepsin B   335 aa 304 aa 25.3 %
Plasmodium falciparum dipeptidyl aminopeptidase 2 Cathepsin B   335 aa 312 aa 23.7 %
Brugia malayi Cathepsin L-like precursor Cathepsin B   335 aa 312 aa 25.0 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 271 aa 25.1 %
Plasmodium yoelii cathepsin c precursor Cathepsin B   335 aa 313 aa 25.2 %
Plasmodium knowlesi knowpain-3 Cathepsin B   335 aa 301 aa 22.6 %
Onchocerca volvulus Cathepsin B   335 aa 326 aa 34.7 %
Onchocerca volvulus Cathepsin B-like cysteine proteinase 6 homolog Cathepsin B   335 aa 315 aa 49.2 %
Schistosoma japonicum Cathepsin C precursor, putative Cathepsin B   335 aa 289 aa 28.4 %
Plasmodium falciparum dipeptidyl aminopeptidase 1 cathepsin B 339 aa 368 aa 26.9 %
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Cathepsin B   335 aa 287 aa 25.1 %
Schistosoma japonicum ko:K01275 cathepsin C [EC3.4.14.1], putative Cathepsin B   335 aa 351 aa 28.5 %
Trypanosoma cruzi cysteine proteinase, putative Cathepsin B   335 aa 276 aa 26.1 %
Echinococcus granulosus calpain A calpain 2, (m/II) large subunit 622 aa 663 aa 31.2 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 270 aa 25.2 %
Dictyostelium discoideum cathepsin L-like proteinase Cathepsin B   335 aa 322 aa 26.4 %
Echinococcus granulosus calpain A calpain 1, (mu/I) large subunit 714 aa 753 aa 31.7 %
Babesia bovis cathepsin C precursor, putative Cathepsin B   335 aa 305 aa 25.9 %
Dictyostelium discoideum cysteine proteinase 3 Cathepsin B   335 aa 275 aa 28.7 %
Plasmodium knowlesi dipeptidyl aminopeptidase 2, putative Cathepsin B   335 aa 297 aa 24.6 %
Trypanosoma cruzi cysteine proteinase, putative Cathepsin B   335 aa 276 aa 25.7 %
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Cathepsin B   335 aa 272 aa 25.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0098 0.0098
Echinococcus multilocularis neuropeptide receptor 0.0058 0.0098 0.0306
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.3209 0.3209
Echinococcus multilocularis calpain family protein 1, d 0.0097 0.0538 0.1675
Schistosoma mansoni amine GPCR 0.0058 0.0098 0.0098
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0098 0.0098
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0058 0.0098 0.0306
Schistosoma mansoni biogenic amine (5HT) receptor 0.0058 0.0098 0.0098
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0058 0.0098 0.0098
Loa Loa (eye worm) neuropeptide F receptor 0.0058 0.0098 0.0306
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0058 0.0098 0.0098
Brugia malayi Dopamine receptor protein 1 0.0058 0.0098 0.0306
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Brugia malayi GnHR receptor homolog 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0058 0.0098 0.0306
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0142 0.1046 0.1046
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0058 0.0098 0.0306
Echinococcus granulosus biogenic amine 5HT receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) neuropeptide F receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis neuropeptides capa receptor 0.0058 0.0098 0.0306
Brugia malayi Melatonin receptor type 1A 0.0058 0.0098 0.0306
Brugia malayi putative neuropeptide receptor 0.0058 0.0098 0.0306
Brugia malayi G protein-coupled receptor 0.0058 0.0098 0.0306
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus neuropeptides capa receptor 0.0058 0.0098 0.0306
Schistosoma mansoni neuropeptide F-like receptor 0.0058 0.0098 0.0098
Schistosoma mansoni myosin xvIII 0.0058 0.0098 0.0098
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0058 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0058 0.0098 0.0306
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0098 0.0098
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0117 0.0763 0.2377
Echinococcus granulosus serotonin receptor 0.0058 0.0098 0.0306
Schistosoma mansoni growth hormone secretagogue receptor 0.0058 0.0098 0.0098
Echinococcus granulosus g protein coupled receptor 0.0058 0.0098 0.0306
Schistosoma mansoni opsin-like receptor 0.0058 0.0098 0.0098
Loa Loa (eye worm) cathepsin B 0.0109 0.068 0.2121
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis G-protein coupled receptor, putative 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0332 0.3209 1
Echinococcus multilocularis g-protein coupled receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0058 0.0098 0.0306
Brugia malayi neuropeptide F receptor 0.0058 0.0098 0.0306
Echinococcus multilocularis neuropeptide receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0082 0.0368 0.1146
Schistosoma mansoni neuropeptide receptor 0.0058 0.0098 0.0098
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0109 0.068 0.068
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis neuropeptide Y receptor 0.0058 0.0098 0.0306
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0132 0.0933 0.0933
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0058 0.0098 0.0306
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0058 0.0098 0.0098
Echinococcus multilocularis cathepsin b 0.0332 0.3209 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0332 0.3209 0.3209
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0058 0.0098 0.0306
Echinococcus multilocularis allatostatin A receptor 0.0058 0.0098 0.0306
Echinococcus granulosus hypothetical protein 0.0058 0.0098 0.0306
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Trypanosoma brucei cysteine peptidase C (CPC) 0.0109 0.068 1
Echinococcus multilocularis calpain A 0.0142 0.1049 0.3269
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Schistosoma mansoni neuropeptide F-like receptor 0.0058 0.0098 0.0098
Brugia malayi Serotonin receptor 0.0058 0.0098 0.0306
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0058 0.0098 0.0098
Schistosoma mansoni opsin-like receptor 0.0058 0.0098 0.0098
Onchocerca volvulus 0.0082 0.0368 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Echinococcus multilocularis g protein coupled receptor 0.0058 0.0098 0.0306
Schistosoma mansoni biogenic amine (5HT) receptor 0.0058 0.0098 0.0098
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0098 0.0098
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis G protein coupled receptor 139 0.0058 0.0098 0.0306
Schistosoma mansoni adenoreceptor 0.0058 0.0098 0.0098
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Brugia malayi Dopamine receptor protein 2 0.0058 0.0098 0.0306
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0058 0.0098 0.0306
Brugia malayi Serotonin receptor 0.0058 0.0098 0.0306
Echinococcus granulosus neuropeptide s receptor 0.0058 0.0098 0.0306
Giardia lamblia Cathepsin B precursor 0.0109 0.068 0.5
Echinococcus granulosus allatostatin A receptor 0.0058 0.0098 0.0306
Brugia malayi neuropeptide F receptor 0.0058 0.0098 0.0306
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0109 0.068 0.2121
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0058 0.0098 0.0306
Schistosoma mansoni alpha-1 adrenergic receptor 0.0058 0.0098 0.0098
Echinococcus granulosus tm gpcr rhodopsin 0.0058 0.0098 0.0306
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0058 0.0098 0.0306
Echinococcus granulosus sex peptide receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) melatonin receptor type 1A 0.0058 0.0098 0.0306
Giardia lamblia Cathepsin B precursor 0.0109 0.068 0.5
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0098 0.0098
Brugia malayi ORL1-like opioid receptor 0.0058 0.0098 0.0306
Brugia malayi G protein-coupled receptor F59B2.13 0.0058 0.0098 0.0306
Brugia malayi calpain family protein 1 0.0132 0.0933 0.2906
Brugia malayi G-protein coupled receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus fmrfamide receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0058 0.0098 0.0306
Echinococcus granulosus 7TM GPCR rhodopsin 0.0058 0.0098 0.0306
Schistosoma mansoni biogenic amine receptor 0.0058 0.0098 0.0098
Brugia malayi AKH receptor 0.0058 0.0098 0.0306
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0332 0.3209 1
Echinococcus granulosus orexin receptor type 2 0.0058 0.0098 0.0306
Brugia malayi cathepsin B-like cysteine proteinase 0.0332 0.3209 1
Echinococcus multilocularis somatostatin receptor 0.0058 0.0098 0.0306
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Brugia malayi putative neuropeptide receptor NPR1 0.0058 0.0098 0.0306
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0058 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis dro:myosuppressin receptor 0.0058 0.0098 0.0306
Echinococcus granulosus g protein coupled receptor 0.0058 0.0098 0.0306
Schistosoma mansoni hypothetical protein 0.0058 0.0098 0.0098
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.3209 0.3209
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0058 0.0098 0.0306
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0058 0.0098 0.0306
Brugia malayi calpain family protein 1 0.0132 0.0933 0.2906
Schistosoma mansoni neuropeptide receptor 0.0058 0.0098 0.0098
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0058 0.0098 0.0306
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus cathepsin b 0.0332 0.3209 1
Schistosoma mansoni neuropeptide receptor 0.0058 0.0098 0.0098
Toxoplasma gondii cathepsin B 0.0109 0.068 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0058 0.0098 0.0306
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0058 0.0098 0.0306
Schistosoma mansoni amine GPCR 0.0058 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Schistosoma mansoni hypothetical protein 0.0058 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus alpha 1A adrenergic receptor 0.0058 0.0098 0.0306
Echinococcus granulosus somatostatin receptor 0.0058 0.0098 0.0306
Schistosoma mansoni biogenic amine receptor 0.0058 0.0098 0.0098
Echinococcus multilocularis serotonin receptor 0.0058 0.0098 0.0306
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0058 0.0098 0.0306
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0142 0.1046 0.3259
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0058 0.0098 0.0306
Echinococcus multilocularis neuropeptide Y receptor 0.0058 0.0098 0.0306
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0058 0.0098 0.0306
Echinococcus granulosus tm gpcr rhodopsin 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Schistosoma mansoni amine GPCR 0.0058 0.0098 0.0098
Echinococcus multilocularis sex peptide receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus neuropeptide receptor 0.0058 0.0098 0.0306
Echinococcus granulosus neuropeptide receptor 0.0058 0.0098 0.0306
Echinococcus granulosus biogenic amine 5HT receptor 0.0058 0.0098 0.0306
Echinococcus multilocularis neuropeptide s receptor 0.0058 0.0098 0.0306
Echinococcus granulosus calpain A 0.0142 0.1049 0.3269
Schistosoma mansoni biogenic amine receptor 0.0058 0.0098 0.0098
Loa Loa (eye worm) calpain family protein 1 0.0132 0.0933 0.2906
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus peptide allatostatin:somatostatin 0.0058 0.0098 0.0306
Schistosoma mansoni neuropeptide receptor 0.0058 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0058 0.0098 0.0098
Echinococcus multilocularis g protein coupled receptor 0.0058 0.0098 0.0306
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0098 0.0098
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus neuropeptide FF receptor 2 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus neuropeptide receptor A26 0.0058 0.0098 0.0306
Echinococcus multilocularis neuropeptide FF receptor 2 0.0058 0.0098 0.0306
Brugia malayi sulfakinin receptor protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0097 0.0538 0.1675
Loa Loa (eye worm) calpain family protein 1 0.0097 0.0538 0.1675
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0058 0.0098 0.0098
Echinococcus granulosus cathepsin b 0.0332 0.3209 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0142 0.1046 0.3259
Schistosoma mansoni opsin-like receptor 0.0058 0.0098 0.0098
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0058 0.0098 0.0306
Echinococcus multilocularis g protein coupled receptor 0.0058 0.0098 0.0306
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0098 0.0098
Schistosoma mansoni amine GPCR 0.0058 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0058 0.0098 0.0098
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0058 0.0098 0.0098
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0058 0.0098 0.0098
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0058 0.0098 0.0098
Echinococcus multilocularis fmrfamide receptor 0.0058 0.0098 0.0306
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0332 0.3209 0.3209
Loa Loa (eye worm) TYRA-2 protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus g protein coupled receptor 0.0058 0.0098 0.0306
Echinococcus multilocularis cathepsin b 0.0332 0.3209 1
Echinococcus granulosus neuropeptide Y receptor 0.0058 0.0098 0.0306
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Schistosoma mansoni neuropeptide f receptor 76f 0.0058 0.0098 0.0098
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0109 0.068 1
Brugia malayi larval opioid receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0058 0.0098 0.0306
Brugia malayi follicle stimulating hormone receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0132 0.0933 0.2906
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Brugia malayi G-protein coupled receptor 0.0058 0.0098 0.0306
Echinococcus granulosus 7tm_1 domain containing protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) G-protein coupled receptor 0.0058 0.0098 0.0306
Brugia malayi Tachykinin-like peptides receptor 99D 0.0058 0.0098 0.0306
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis neuropeptide receptor A26 0.0058 0.0098 0.0306
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus G protein coupled receptor 139 0.0058 0.0098 0.0306
Echinococcus multilocularis serotonin receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus granulosus neuropeptides capa receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis neuropeptides capa receptor 0.0058 0.0098 0.0306
Echinococcus granulosus dro:myosuppressin receptor 0.0058 0.0098 0.0306
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) G-protein coupled receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Giardia lamblia Cathepsin B precursor 0.0109 0.068 0.5
Brugia malayi hypothetical protein 0.0058 0.0098 0.0306
Plasmodium vivax calpain, putative 0.005 0 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.0098 0.0098
Echinococcus granulosus tm gpcr rhodopsin 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Schistosoma mansoni hypothetical protein 0.0058 0.0098 0.0098
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Brugia malayi Dopamine receptor 0.0058 0.0098 0.0306
Echinococcus granulosus g-protein coupled receptor 0.0058 0.0098 0.0306
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis fmrfamide receptor 0.0058 0.0098 0.0306
Brugia malayi RE15519p 0.0058 0.0098 0.0306
Echinococcus granulosus tachykinin peptides receptor 99D 0.0058 0.0098 0.0306
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0142 0.1046 0.1046
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0109 0.068 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0098 0.0306
Echinococcus multilocularis orexin receptor type 2 0.0058 0.0098 0.0306
Echinococcus granulosus neuropeptide Y receptor 0.0058 0.0098 0.0306
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0058 0.0098 0.0098
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0058 0.0098 0.0098
Echinococcus multilocularis rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Echinococcus granulosus rhodopsin orphan GPCR 0.0058 0.0098 0.0306
Schistosoma mansoni histamine h1 receptor 0.0058 0.0098 0.0098

Activities

Activity type Activity value Assay description Source Reference
IC (functional) = 100 uM Platelet membrane permeability. ChEMBL. 8831774
IC50 (functional) = 100 uM Inhibitory potency against rat platelet membrane permeability at pH 7.35 ChEMBL. 8230139
Ki (binding) = 0.043 nM Compound was evaluated for the inhibition of Cysteine protease Calpain 2 ChEMBL. 8831774
Ki (binding) = 0.2 nM Inhibition of human cathepsin B ChEMBL. 8831774
Ki (binding) = 0.8 nM Inhibition of the cysteine protease human Calpain 1 ChEMBL. 8831774
Ki (binding) = 0.043 uM Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0 ChEMBL. 8230139
Ki (binding) = 0.043 uM Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0 ChEMBL. 8230139
Ki (binding) = 0.043 uM Compound was evaluated for the inhibition of Cysteine protease Calpain 2 ChEMBL. 8831774
Ki (binding) = 0.2 uM Inhibition of alpha-keto esters towards cathepsin B at pH 5.2 ChEMBL. 8230139
Ki (binding) = 0.2 uM Inhibition of alpha-keto esters towards cathepsin B at pH 5.2 ChEMBL. 8230139
Ki (binding) = 0.2 uM Inhibition of human cathepsin B ChEMBL. 8831774
Ki (binding) = 0.8 uM Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0. ChEMBL. 8230139
Ki (binding) = 0.8 uM Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0. ChEMBL. 8230139
Ki (binding) = 0.8 uM Inhibition of the cysteine protease human Calpain 1 ChEMBL. 8831774

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

2 literature references were collected for this gene.

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