Detailed information for compound 406481

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1064.24 | Formula: C54H73N13O10
  • H donors: 12 H acceptors: 11 LogP: 0.59 Rotable bonds: 35
    Rule of 5 violations (Lipinski): 4
  • SMILES: CNCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)O)Cc1ccc(cc1)c1ccccc1)Cc1c[nH]cn1)C(C)C)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N
  • InChi: 1S/C54H73N13O10/c1-31(2)45(65-47(70)39(61-44(69)29-57-5)13-9-23-59-54(55)56)50(73)62-40(25-34-17-21-38(68)22-18-34)48(71)66-46(32(3)4)51(74)63-41(27-37-28-58-30-60-37)52(75)67-24-10-14-43(67)49(72)64-42(53(76)77)26-33-15-19-36(20-16-33)35-11-7-6-8-12-35/h6-8,11-12,15-22,28,30-32,39-43,45-46,57,68H,9-10,13-14,23-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,72)(H,65,70)(H,66,71)(H,76,77)(H4,55,56,59)/t39-,40-,41-,42+,43+,45-,46-/m0/s1
  • InChiKey: LJUARYLYKNFQDW-DVNGMKSISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Angiotensin II receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Angiotensin II receptor   359 aa 406 aa 20.0 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Angiotensin II receptor   359 aa 407 aa 19.4 %
Brugia malayi ORL1-like opioid receptor Angiotensin II receptor   359 aa 314 aa 20.1 %
Onchocerca volvulus Angiotensin II receptor   359 aa 314 aa 25.8 %
Echinococcus granulosus growth hormone secretagogue receptor type 1 Angiotensin II receptor   359 aa 351 aa 21.9 %
Brugia malayi GnHR receptor homolog Angiotensin II receptor   359 aa 364 aa 20.9 %
Onchocerca volvulus Angiotensin II receptor   359 aa 386 aa 24.9 %
Echinococcus granulosus thyrotropin releasing hormone receptor Angiotensin II receptor   359 aa 337 aa 24.0 %
Echinococcus granulosus allatostatin A receptor Angiotensin II receptor   359 aa 348 aa 25.9 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Angiotensin II receptor   359 aa 311 aa 23.5 %
Loa Loa (eye worm) neuropeptide F receptor Angiotensin II receptor   359 aa 356 aa 24.2 %
Echinococcus multilocularis neuropeptide receptor Angiotensin II receptor   359 aa 316 aa 25.3 %
Loa Loa (eye worm) hypothetical protein Angiotensin II receptor   359 aa 330 aa 26.7 %
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Angiotensin II receptor   359 aa 303 aa 22.4 %
Schistosoma mansoni opsin-like receptor Angiotensin II receptor   359 aa 299 aa 25.1 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Angiotensin II receptor   359 aa 334 aa 23.7 %
Onchocerca volvulus Angiotensin II receptor   359 aa 312 aa 19.2 %
Onchocerca volvulus Angiotensin II receptor   359 aa 303 aa 25.1 %
Echinococcus granulosus neuropeptide receptor Angiotensin II receptor   359 aa 316 aa 25.0 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Angiotensin II receptor   359 aa 346 aa 18.2 %
Loa Loa (eye worm) hypothetical protein Angiotensin II receptor   359 aa 335 aa 23.3 %
Echinococcus granulosus tm gpcr rhodopsin Angiotensin II receptor   359 aa 303 aa 22.4 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Angiotensin II receptor   359 aa 352 aa 20.5 %
Echinococcus multilocularis G-protein coupled receptor, putative Angiotensin II receptor   359 aa 308 aa 22.4 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Angiotensin II receptor   359 aa 336 aa 22.3 %
Echinococcus multilocularis growth hormone secretagogue receptor type 1 Angiotensin II receptor   359 aa 351 aa 21.9 %
Schistosoma japonicum Rhodopsin, putative Angiotensin II receptor   359 aa 327 aa 24.2 %
Onchocerca volvulus Angiotensin II receptor   359 aa 294 aa 23.8 %
Onchocerca volvulus Angiotensin II receptor   359 aa 395 aa 23.0 %
Echinococcus multilocularis allatostatin A receptor Angiotensin II receptor   359 aa 348 aa 25.9 %
Schistosoma mansoni adenoreceptor Angiotensin II receptor   359 aa 329 aa 24.0 %
Schistosoma mansoni peptide (allatostatin)-like receptor Angiotensin II receptor   359 aa 314 aa 26.1 %
Brugia malayi putative neuropeptide receptor NPR1 Angiotensin II receptor   359 aa 295 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0166 0.4306 0.2785
Trypanosoma cruzi cysteine proteinase, putative 0.0166 0.4306 0.4054
Echinococcus multilocularis cathepsin L 0.0166 0.4306 0.4328
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.0459 0.0461
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0317 0.9949 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0214 0.6102 0.6133
Entamoeba histolytica cysteine proteinase, putative 0.0166 0.4306 0.4032
Brugia malayi cathepsin L-like precursor 0.0214 0.6102 0.6133
Entamoeba histolytica cysteine proteinase, putative 0.0166 0.4306 0.4032
Echinococcus multilocularis cathepsin L 0.0062 0.0459 0.0461
Schistosoma mansoni cathepsin F (C01 family) 0.0214 0.6102 0.6133
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Toxoplasma gondii cathepsin B 0.0107 0.2128 0.1758
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0459 0.0461
Trypanosoma cruzi cruzipain precursor, putative 0.0317 0.9949 1
Plasmodium vivax unspecified product 0.0103 0.1992 0.1615
Echinococcus granulosus cathepsin l1 0.0317 0.9949 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Giardia lamblia Cathepsin B precursor 0.0107 0.2128 0.1749
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0062 0.0459 0.0461
Onchocerca volvulus 0.0214 0.6102 0.5946
Echinococcus multilocularis cathepsin b 0.0207 0.5855 0.5885
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0317 0.9949 0.9947
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Loa Loa (eye worm) hypothetical protein 0.0214 0.6102 0.6133
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0214 0.6102 0.5914
Onchocerca volvulus Cathepsin L homolog 0.0317 0.9949 1
Brugia malayi Cathepsin L-like precursor 0.0103 0.1992 0.2002
Loa Loa (eye worm) hypothetical protein 0.0058 0.0297 0.0298
Loa Loa (eye worm) hypothetical protein 0.0214 0.6102 0.6133
Trypanosoma cruzi cysteine peptidase, putative 0.0166 0.4306 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.0062 0.0459 0.0461
Brugia malayi Papain family cysteine protease containing protein 0.0166 0.4306 0.4328
Echinococcus granulosus cathepsin L 0.0166 0.4306 0.4328
Entamoeba histolytica cysteine protease, putative 0.0317 0.9949 0.9947
Loa Loa (eye worm) cathepsin B 0.0107 0.2128 0.2139
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0317 0.9949 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0297 0.0298
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0207 0.5855 0.5885
Brugia malayi Cathepsin L-like precursor 0.0214 0.6102 0.6133
Schistosoma mansoni cathepsin S (C01 family) 0.0062 0.0459 0.0461
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0317 0.9949 0.9947
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0103 0.1992 0.2002
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Entamoeba histolytica cysteine proteinase 2 0.0166 0.4306 0.4032
Loa Loa (eye worm) hypothetical protein 0.0103 0.1992 0.2002
Entamoeba histolytica cysteine proteinase, putative 0.0317 0.9949 0.9947
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Brugia malayi Cathepsin L-like precursor 0.0317 0.9949 1
Brugia malayi Cathepsin L-like precursor 0.0214 0.6102 0.6133
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Trypanosoma cruzi cysteine peptidase, putative 0.0103 0.1992 0.1615
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0317 0.9949 0.9947
Loa Loa (eye worm) hypothetical protein 0.0062 0.0459 0.0461
Onchocerca volvulus 0.0317 0.9949 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Loa Loa (eye worm) hypothetical protein 0.0062 0.0459 0.0461
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0319 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0459 0.0461
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0166 0.4306 0.2785
Brugia malayi cathepsin F-like cysteine proteinase 0.0103 0.1992 0.2002
Schistosoma mansoni cathepsin B (C01 family) 0.0062 0.0459 0.0461
Schistosoma mansoni cathepsin F (C01 family) 0.0317 0.9949 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.0459 0.0461
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0166 0.4306 0.4328
Plasmodium vivax vivapain-2 0.0317 0.9949 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0317 0.9949 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0214 0.6102 0.5914
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0062 0.0459 0.0461
Leishmania major cathepsin L-like protease 0.0317 0.9949 1
Brugia malayi Cathepsin L-like precursor 0.0317 0.9949 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0317 0.9949 0.9947
Brugia malayi Cathepsin L-like precursor 0.0317 0.9949 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 1 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0156 0.3936 0.5
Plasmodium falciparum cysteine proteinase falcipain 1 0.0166 0.4306 0.4054
Onchocerca volvulus Cathepsin F homolog 0.0317 0.9949 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0107 0.2128 0.2139
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0166 0.4306 0.4328
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Echinococcus multilocularis cysteine protease 0.0317 0.9949 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.1992 0.2002
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0317 0.9949 0.9947
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0107 0.2128 0.1749
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Plasmodium vivax unspecified product 0.0166 0.4306 0.4054
Giardia lamblia Cathepsin B precursor 0.0107 0.2128 0.1749
Leishmania major cysteine peptidase A (CPA) 0.0317 0.9949 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Leishmania major cathepsin L-like protease 0.0317 0.9949 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0317 0.9949 0.9947
Loa Loa (eye worm) hypothetical protein 0.0207 0.5855 0.5885
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0207 0.5855 0.5885
Echinococcus multilocularis cathepsin b 0.0207 0.5855 0.5885
Plasmodium vivax vivapain-3 0.0166 0.4306 0.4054
Echinococcus granulosus cathepsin b 0.0207 0.5855 0.5885
Echinococcus granulosus cathepsin L cysteine proteinase 0.0317 0.9949 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0459 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0214 0.6102 0.5914
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0062 0.0459 0.0461
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0317 0.9949 0.9947
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0207 0.5855 0.5686
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0317 0.9949 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0062 0.0459 0.0461
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Brugia malayi Papain family cysteine protease containing protein 0.0062 0.0459 0.0461
Leishmania major cathepsin L-like protease 0.0317 0.9949 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.1992 0.2002
Echinococcus granulosus cysteine protease 0.0166 0.4306 0.4328
Trypanosoma cruzi cruzipain precursor, putative 0.0103 0.1992 0.1615
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0166 0.4306 0.4328
Brugia malayi cathepsin B-like cysteine proteinase 0.0207 0.5855 0.5885
Echinococcus granulosus cathepsin L cysteine protease 0.0166 0.4306 0.4328
Entamoeba histolytica cysteine proteinase, putative 0.0317 0.9949 0.9947
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0317 0.9949 1
Treponema pallidum fructose-bisphosphate aldolase 0.0319 1 0.5
Onchocerca volvulus Cathepsin L homolog 0.0317 0.9949 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.0459 0.0461
Brugia malayi Cathepsin L-like precursor 0.0317 0.9949 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0062 0.0459 0.0461
Giardia lamblia Fructose-bisphosphate aldolase 0.0319 1 1
Onchocerca volvulus 0.0317 0.9949 1
Loa Loa (eye worm) hypothetical protein 0.0317 0.9949 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0062 0.0459 0.0461
Onchocerca volvulus 0.0317 0.9949 1
Brugia malayi Cathepsin L-like precursor 0.0317 0.9949 1
Trypanosoma cruzi cysteine peptidase, putative 0.0317 0.9949 1
Leishmania major cathepsin L-like protease 0.0317 0.9949 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0317 0.9949 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0297 0.0298
Loa Loa (eye worm) cysteine protease 0.0317 0.9949 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0317 0.9949 1
Trypanosoma cruzi cysteine peptidase, putative 0.0317 0.9949 1
Leishmania major cathepsin L-like protease 0.0317 0.9949 1
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0317 0.9949 0.9947
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0156 0.3936 0.5
Brugia malayi Papain family cysteine protease containing protein 0.0062 0.0459 0.0461
Loa Loa (eye worm) fibroinase 0.0317 0.9949 1
Leishmania major cathepsin L-like protease 0.0317 0.9949 1
Echinococcus granulosus cathepsin b 0.0207 0.5855 0.5885
Echinococcus multilocularis cysteine protease 0.0317 0.9949 1
Trypanosoma cruzi cysteine protease, putative 0.0166 0.4306 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0317 0.9949 0.9947
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0062 0.0459 0.0461
Plasmodium falciparum cysteine proteinase falcipain 3 0.0317 0.9949 1
Plasmodium vivax vivapain-1 0.0166 0.4306 0.4054
Loa Loa (eye worm) hypothetical protein 0.0214 0.6102 0.6133
Trypanosoma cruzi cysteine peptidase, putative 0.0317 0.9949 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0156 0.3936 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Brugia malayi fibroinase precursor 0.0062 0.0459 0.0461
Brugia malayi Cathepsin L-like precursor 0.0317 0.9949 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0207 0.5855 0.5885
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0107 0.2128 0.1758
Onchocerca volvulus 0.0317 0.9949 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0459 0.0461
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Entamoeba histolytica cysteine proteinase, putative 0.0166 0.4306 0.4032
Trypanosoma cruzi cysteine proteinase, putative 0.0166 0.4306 0.4054
Brugia malayi cathepsin Z-like cysteine proteinase 0.0062 0.0459 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Leishmania major cathepsin L-like protease 0.0317 0.9949 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0103 0.1992 0.2002
Brugia malayi cathepsin L precursor 0.0062 0.0459 0.0461
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0166 0.4306 0.4054
Onchocerca volvulus 0.0317 0.9949 1
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0317 0.9949 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0166 0.4306 0.4032
Giardia lamblia Cathepsin B precursor 0.0107 0.2128 0.1749
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0062 0.0459 0.0461
Echinococcus granulosus cathepsin L 0.0062 0.0459 0.0461
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0317 0.9949 0.9947
Entamoeba histolytica cysteine proteinase, putative 0.0166 0.4306 0.4032
Onchocerca volvulus 0.0317 0.9949 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0317 0.9949 1
Schistosoma mansoni cathepsin C 0.0062 0.0459 0.0461
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0317 0.9949 0.9947
Toxoplasma gondii cathepsin CPL 0.0317 0.9949 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0317 0.9949 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0062 0.0459 0.0461
Echinococcus multilocularis cathepsin L cysteine protease 0.0317 0.9949 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Brugia malayi Papain family cysteine protease containing protein 0.0317 0.9949 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0319 1 1
Schistosoma mansoni cathepsin s 0.0103 0.1992 0.2002
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0214 0.6102 0.5946
Plasmodium vivax vivapain-2 0.0317 0.9949 1
Leishmania major cathepsin L-like protease 0.0317 0.9949 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0207 0.5855 0.5885
Brugia malayi Papain family cysteine protease containing protein 0.0166 0.4306 0.4328
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.0459 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0166 0.4306 0.4032
Entamoeba histolytica cysteine protease, putative 0.0166 0.4306 0.4032
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0062 0.0459 0.0461
Loa Loa (eye worm) ctsf protein 0.0317 0.9949 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0297 0.0298
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0062 0.0459 0.0461
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.0459 0.0461
Echinococcus granulosus cathepsin l1 0.0214 0.6102 0.6133
Onchocerca volvulus 0.0317 0.9949 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0166 0.4306 0.4032
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0317 0.9949 0.9947
Schistosoma mansoni cathepsin F (C01 family) 0.0317 0.9949 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 7.2 Inhibitory activity was determined in rat uterine preparations at a compound dose of 2 ng/mL ChEMBL. 2704034
Activity (functional) = 24.6 Inhibitory activity was determined in rat uterine preparations at a compound dose of 4 ng/mL ChEMBL. 2704034
Activity (functional) = 44.7 Inhibitory activity was determined in rat uterine preparations at a compound dose of 6 ng/mL ChEMBL. 2704034
Activity (functional) = 0 % Agonistic activity of the compound was determined in rat uterine preparations; Negligible ChEMBL. 2704034
Ki (binding) = 0.46 nM Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain ChEMBL. 2704034
Ki (binding) = 0.46 nM Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain ChEMBL. 2704034
Ki (binding) = 0.74 nM Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterus ChEMBL. 2704034
Ki (binding) = 0.74 nM Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterus ChEMBL. 2704034
Recovery time (functional) = 14 % Time period for the pressor response of angiotensinII to return to 50% of its treatment level at a compound dose of 1 microgram ChEMBL. 2704034
Recovery time (functional) = 41 % Time period for the pressor response of angiotensinII to return to 50% of its treatment level at a compound dose of 3 microgram ChEMBL. 2704034
Recovery time (functional) = 73 % Time period for the pressor response of angiotensinII to return to 50% of its treatment level at a compound dose of 10 microgram ChEMBL. 2704034

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.