Detailed information for compound 934229

Basic information

Technical information
  • TDR Targets ID: 934229
  • Name: (2S,3S,4R,5R)-5-[6-amino-2-(5-hydroxypent-1-y nyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane- 2-carboxamide
  • MW: 390.394 | Formula: C17H22N6O5
  • H donors: 5 H acceptors: 7 LogP: -1.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC
  • InChi: 1S/C17H22N6O5/c1-2-19-16(27)13-11(25)12(26)17(28-13)23-8-20-10-14(18)21-9(22-15(10)23)6-4-3-5-7-24/h8,11-13,17,24-26H,2-3,5,7H2,1H3,(H,19,27)(H2,18,21,22)/t11-,12+,13-,17+/m0/s1
  • InChiKey: BTBKFFITGCENPJ-PFHKOEEOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,3S,4R,5R)-5-[6-amino-2-(5-hydroxypent-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
  • (2S,3S,4R,5R)-5-[6-amino-2-(5-hydroxypent-1-ynyl)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-tetrahydrofurancarboxamide
  • (2S,3S,4R,5R)-5-[6-amino-2-(5-hydroxypent-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-oxolane-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adenosine A2 receptor Starlite/ChEMBL References
Rattus norvegicus Adenosine A1 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
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 300 aa 24.3 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A1 receptor   326 aa 315 aa 21.6 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 306 aa 21.2 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 323 aa 20.7 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 274 aa 22.6 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 22.7 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Adenosine A1 receptor   326 aa 295 aa 28.1 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 304 aa 21.1 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 305 aa 21.0 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.9 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Adenosine A2 receptor   410 aa 340 aa 27.9 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 311 aa 21.2 %
Onchocerca volvulus Adenosine A2 receptor   410 aa 356 aa 23.9 %
Schistosoma mansoni dro/myosuppressin receptor Adenosine A1 receptor   326 aa 326 aa 22.1 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 286 aa 26.9 %
Echinococcus granulosus neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Echinococcus multilocularis neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Echinococcus granulosus allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 23.1 %
Onchocerca volvulus Adenosine A2 receptor   410 aa 337 aa 23.1 %
Echinococcus multilocularis allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Schistosoma mansoni biogenic amine (5HT) receptor Adenosine A2 receptor   410 aa 399 aa 28.1 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 317 aa 24.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Adenosine A2 receptor   410 aa 346 aa 28.3 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Adenosine A2 receptor   410 aa 366 aa 25.4 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 327 aa 24.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0049 0.095 0.095
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Plasmodium falciparum serine repeat antigen 8 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0049 0.095 0.1461
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Plasmodium falciparum serine repeat antigen 2 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0138 0.3749 0.5767
Echinococcus granulosus cathepsin b 0.0337 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.095 0.095
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Loa Loa (eye worm) hypothetical protein 0.0049 0.095 0.095
Toxoplasma gondii cathepsin CPC2 0.0049 0.095 0.1461
Leishmania major cathepsin L-like protease 0.0225 0.6501 1
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Loa Loa (eye worm) cysteine protease 0.0225 0.6501 0.6501
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0049 0.095 0.095
Giardia lamblia Hypothetical protein 0.0049 0.095 0.2533
Toxoplasma gondii cathepsin CPC1 0.0049 0.095 0.1461
Trypanosoma cruzi cysteine peptidase, putative 0.0225 0.6501 0.6501
Entamoeba histolytica cysteine protease, putative 0.0049 0.095 0.1461
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0049 0.095 0.1461
Brugia malayi Papain family cysteine protease containing protein 0.0049 0.095 0.095
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0225 0.6501 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0072 0.1664 0.1664
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0225 0.6501 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0225 0.6501 0.6501
Plasmodium falciparum serine repeat antigen 7 0.0049 0.095 0.1461
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Echinococcus multilocularis cathepsin L cysteine protease 0.0225 0.6501 0.6501
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1307 0.2011
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0844 0.0844
Giardia lamblia Cathepsin L precursor 0.0049 0.095 0.2533
Loa Loa (eye worm) hypothetical protein 0.0072 0.1664 0.1664
Plasmodium falciparum serine repeat antigen 1 0.0049 0.095 0.1461
Echinococcus multilocularis cathepsin L 0.0049 0.095 0.095
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0225 0.6501 1
Entamoeba histolytica cysteine protease, putative 0.0049 0.095 0.1461
Giardia lamblia Cathepsin B precursor 0.0049 0.095 0.2533
Echinococcus granulosus cathepsin b 0.0337 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.095 0.095
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.425 0.425
Giardia lamblia Cathepsin L precursor 0.0049 0.095 0.2533
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1307 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0154 0.425 0.6538
Onchocerca volvulus 0.0225 0.6501 1
Leishmania major cathepsin L-like protease 0.0225 0.6501 1
Entamoeba histolytica cysteine protease, putative 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1307 0.1307
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0154 0.425 0.6538
Echinococcus granulosus cathepsin L 0.012 0.32 0.32
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0049 0.095 0.095
Entamoeba histolytica cysteine proteinase, putative 0.012 0.32 0.4923
Trypanosoma cruzi cruzipain precursor, putative 0.0225 0.6501 0.6501
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.012 0.32 0.32
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0049 0.095 0.1461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0844 0.0844
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0138 0.3749 0.5767
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Leishmania major cathepsin L-like protease 0.0225 0.6501 1
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.1664 0.1664
Brugia malayi Cathepsin L-like precursor 0.0154 0.425 0.425
Giardia lamblia Cathepsin L-like protease 0.0049 0.095 0.2533
Echinococcus multilocularis cysteine protease 0.0225 0.6501 0.6501
Trypanosoma cruzi cysteine proteinase, putative 0.012 0.32 0.32
Giardia lamblia Hypothetical protein 0.0049 0.095 0.2533
Brugia malayi cathepsin L-like precursor 0.0154 0.425 0.425
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0225 0.6501 1
Brugia malayi Cathepsin L-like precursor 0.0225 0.6501 0.6501
Brugia malayi Cathepsin L-like precursor 0.0225 0.6501 0.6501
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.012 0.32 0.4923
Plasmodium vivax unspecified product 0.012 0.32 0.4923
Loa Loa (eye worm) hypothetical protein 0.0154 0.425 0.425
Brugia malayi cathepsin F-like cysteine proteinase 0.0049 0.095 0.095
Trypanosoma cruzi cysteine peptidase, putative 0.0225 0.6501 0.6501
Plasmodium vivax vivapain-2 0.0225 0.6501 1
Onchocerca volvulus 0.0225 0.6501 1
Plasmodium falciparum serine repeat antigen 6 0.0049 0.095 0.1461
Trypanosoma brucei cysteine peptidase C (CPC) 0.0138 0.3749 0.5767
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.095 0.1461
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0844 0.0844
Loa Loa (eye worm) hypothetical protein 0.0154 0.425 0.425
Echinococcus granulosus cathepsin L cysteine proteinase 0.0225 0.6501 0.6501
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Plasmodium vivax vivapain-1 0.012 0.32 0.4923
Giardia lamblia Cathepsin L precursor 0.0049 0.095 0.2533
Entamoeba histolytica cysteine protease, putative 0.0225 0.6501 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0337 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1307 0.1307
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0049 0.095 0.1461
Leishmania major cathepsin L-like protease 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0225 0.6501 1
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Giardia lamblia Cathepsin B precursor 0.0138 0.3749 1
Echinococcus granulosus zinc finger transcription factor gli2 0.0317 0.938 0.938
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0225 0.6501 0.6501
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0844 0.0844
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0049 0.095 0.1461
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.095 0.1461
Entamoeba histolytica cysteine proteinase, putative 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0049 0.095 0.1461
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1307 0.1307
Brugia malayi Cathepsin L-like precursor 0.0225 0.6501 0.6501
Brugia malayi Papain family cysteine protease containing protein 0.012 0.32 0.32
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0049 0.095 0.095
Loa Loa (eye worm) hypothetical protein 0.0049 0.095 0.095
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0225 0.6501 1
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.095 0.1461
Echinococcus multilocularis cathepsin L 0.012 0.32 0.32
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Plasmodium falciparum serine repeat antigen 3 0.0049 0.095 0.1461
Brugia malayi cathepsin F-like cysteine proteinase 0.0072 0.1664 0.1664
Trypanosoma cruzi cysteine peptidase, putative 0.012 0.32 0.32
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0225 0.6501 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.012 0.32 0.32
Loa Loa (eye worm) fibroinase 0.0225 0.6501 0.6501
Giardia lamblia Cathepsin L precursor 0.0049 0.095 0.2533
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.012 0.32 0.32
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Giardia lamblia Cathepsin L precursor 0.0049 0.095 0.2533
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1307 0.2011
Leishmania major cysteine peptidase A (CPA) 0.0225 0.6501 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0138 0.3749 0.3749
Onchocerca volvulus 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.095 0.1461
Entamoeba histolytica cysteine proteinase, putative 0.012 0.32 0.4923
Toxoplasma gondii cathepsin B 0.0138 0.3749 0.5767
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1307 1
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Entamoeba histolytica cysteine proteinase 1, putative 0.012 0.32 0.4923
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0049 0.095 0.095
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.095 0.095
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.095 0.1461
Trypanosoma cruzi cysteine peptidase, putative 0.0225 0.6501 0.6501
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0049 0.095 0.2533
Onchocerca volvulus 0.0225 0.6501 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Entamoeba histolytica hypothetical protein 0.0049 0.095 0.1461
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0337 1 1
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Brugia malayi Zinc finger, C2H2 type family protein 0.0317 0.938 0.938
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0049 0.095 0.095
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0225 0.6501 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0049 0.095 0.095
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1307 0.1307
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0225 0.6501 0.6501
Echinococcus granulosus cathepsin L 0.0049 0.095 0.095
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.012 0.32 0.4923
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.012 0.32 0.4923
Plasmodium falciparum cysteine proteinase falcipain 3 0.0225 0.6501 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Entamoeba histolytica cysteine proteinase 2 0.012 0.32 0.4923
Trypanosoma cruzi cysteine protease, putative 0.012 0.32 0.32
Echinococcus granulosus cathepsin l1 0.0154 0.425 0.425
Plasmodium falciparum serine repeat antigen 5 0.0049 0.095 0.1461
Brugia malayi Cathepsin L-like precursor 0.0225 0.6501 0.6501
Schistosoma mansoni cathepsin F (C01 family) 0.0225 0.6501 0.6501
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0049 0.095 0.095
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0225 0.6501 1
Echinococcus granulosus cathepsin L cysteine protease 0.012 0.32 0.32
Plasmodium vivax serine-repeat antigen (SERA) 0.0049 0.095 0.1461
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0225 0.6501 0.6501
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Schistosoma mansoni cathepsin F (C01 family) 0.0225 0.6501 0.6501
Echinococcus granulosus cysteine protease 0.012 0.32 0.32
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.095 0.1461
Onchocerca volvulus Cathepsin F homolog 0.0225 0.6501 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0049 0.095 0.1461
Echinococcus multilocularis zinc finger transcription factor gli2 0.0317 0.938 0.938
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0049 0.095 0.1461
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0225 0.6501 0.6501
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Giardia lamblia Cathepsin B precursor 0.0138 0.3749 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0049 0.095 0.1461
Plasmodium falciparum serine repeat antigen 9 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.095 0.1461
Leishmania major cathepsin L-like protease 0.0225 0.6501 1
Echinococcus multilocularis cathepsin b 0.0337 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0049 0.095 0.095
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Schistosoma mansoni cathepsin F (C01 family) 0.0154 0.425 0.425
Brugia malayi cathepsin L-like cysteine proteinase 0.0049 0.095 0.095
Brugia malayi Cathepsin L-like precursor 0.0072 0.1664 0.1664
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0154 0.425 0.425
Loa Loa (eye worm) hypothetical protein 0.0072 0.1664 0.1664
Entamoeba histolytica cysteine proteinase, putative 0.012 0.32 0.4923
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0138 0.3749 0.3749
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0049 0.095 0.095
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0844 0.0844
Leishmania major cathepsin L-like protease 0.0225 0.6501 1
Entamoeba histolytica cysteine protease, putative 0.0049 0.095 0.1461
Entamoeba histolytica cysteine proteinase, putative 0.0154 0.425 0.6538
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0049 0.095 0.1461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0844 0.0844
Giardia lamblia Cathepsin B precursor 0.0049 0.095 0.2533
Giardia lamblia Encystation-specific protease 0.0049 0.095 0.2533
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Plasmodium vivax vivapain-3 0.012 0.32 0.4923
Onchocerca volvulus 0.0154 0.425 0.5946
Trypanosoma cruzi cysteine peptidase, putative 0.0225 0.6501 0.6501
Loa Loa (eye worm) hypothetical protein 0.0072 0.1664 0.1664
Loa Loa (eye worm) hypothetical protein 0.0225 0.6501 0.6501
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0049 0.095 0.1461
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0049 0.095 0.095
Echinococcus granulosus cathepsin l1 0.0225 0.6501 0.6501
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.012 0.32 0.32
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0844 0.0844
Giardia lamblia Cathepsin B precursor 0.0138 0.3749 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.012 0.32 0.4923
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.095 0.1461
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0337 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0049 0.095 0.2533
Entamoeba histolytica cysteine proteinase, putative 0.012 0.32 0.4923
Onchocerca volvulus 0.0225 0.6501 1
Giardia lamblia Cathepsin B precursor 0.0049 0.095 0.2533
Loa Loa (eye worm) hypothetical protein 0.0049 0.095 0.095
Brugia malayi Papain family cysteine protease containing protein 0.0225 0.6501 0.6501
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0049 0.095 0.1461
Onchocerca volvulus Cathepsin L homolog 0.0225 0.6501 1
Loa Loa (eye worm) cathepsin B 0.0138 0.3749 0.3749
Plasmodium vivax unspecified product 0.0049 0.095 0.1461
Plasmodium falciparum serine repeat antigen 4 0.0049 0.095 0.1461
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0072 0.1664 0.1664
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0049 0.095 0.1461
Schistosoma mansoni cathepsin s 0.0072 0.1664 0.1664
Giardia lamblia Cysteine protease 0.0049 0.095 0.2533
Entamoeba histolytica cysteine protease, putative 0.0049 0.095 0.1461
Brugia malayi Cathepsin L-like precursor 0.0154 0.425 0.425
Brugia malayi Cathepsin L-like precursor 0.0225 0.6501 0.6501
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0049 0.095 0.1461
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0337 1 1
Giardia lamblia Cathepsin B precursor 0.0049 0.095 0.2533
Leishmania major cathepsin L-like protease 0.0225 0.6501 1
Giardia lamblia Cathepsin L precursor 0.0049 0.095 0.2533
Plasmodium vivax unspecified product 0.0072 0.1664 0.256
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0049 0.095 0.1461
Giardia lamblia Cathepsin B precursor 0.0049 0.095 0.2533
Schistosoma mansoni cathepsin S (C01 family) 0.0049 0.095 0.095
Leishmania major cathepsin L-like protease 0.0225 0.6501 1
Onchocerca volvulus 0.0225 0.6501 1
Giardia lamblia Cysteine protease 0.0049 0.095 0.2533
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1307 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0049 0.095 0.095
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1307 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0049 0.095 0.1461
Trypanosoma cruzi cruzipain precursor, putative 0.0072 0.1664 0.1664
Trypanosoma cruzi cysteine proteinase, putative 0.012 0.32 0.32
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0844 0.0844
Plasmodium falciparum cysteine proteinase falcipain 1 0.012 0.32 0.4923
Brugia malayi Cathepsin L-like cysteine proteinase 0.0154 0.425 0.425
Brugia malayi cathepsin L precursor 0.0049 0.095 0.095
Brugia malayi Papain family cysteine protease containing protein 0.0049 0.095 0.095
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0049 0.095 0.1461
Plasmodium vivax vivapain-2 0.0225 0.6501 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0049 0.095 0.2533
Brugia malayi cathepsin Z-like cysteine proteinase 0.0049 0.095 0.095
Giardia lamblia Cathepsin L-like protease 0.0049 0.095 0.2533
Entamoeba histolytica cysteine protease, putative 0.012 0.32 0.4923
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0225 0.6501 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.095 0.095
Giardia lamblia Cysteine protease 0.0049 0.095 0.2533
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0049 0.095 0.1461
Entamoeba histolytica cysteine proteinase, putative 0.0225 0.6501 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Entamoeba histolytica cysteine protease, putative 0.0049 0.095 0.1461
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0225 0.6501 1
Brugia malayi Cathepsin L-like precursor 0.0225 0.6501 0.6501
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0844 0.0844
Echinococcus multilocularis cathepsin b 0.0337 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0225 0.6501 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.095 0.1461
Echinococcus multilocularis cysteine protease 0.0225 0.6501 0.6501
Loa Loa (eye worm) zinc finger protein 0.0317 0.938 0.938
Loa Loa (eye worm) ctsf protein 0.0225 0.6501 0.6501
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0049 0.095 0.1461
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0049 0.095 0.1461
Echinococcus granulosus cathepsin l cysteine peptidase 0.0225 0.6501 0.6501
Onchocerca volvulus Cathepsin L homolog 0.0225 0.6501 1
Onchocerca volvulus 0.0225 0.6501 1
Brugia malayi Papain family cysteine protease containing protein 0.012 0.32 0.32
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0049 0.095 0.095
Schistosoma mansoni cathepsin C 0.0049 0.095 0.095
Brugia malayi fibroinase precursor 0.0049 0.095 0.095
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.095 0.095
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0337 1 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0049 0.095 0.1461
Giardia lamblia Cysteine protease 0.0049 0.095 0.2533
Toxoplasma gondii cathepsin CPL 0.0225 0.6501 1
Schistosoma mansoni cathepsin B (C01 family) 0.0049 0.095 0.095
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0049 0.095 0.2533
Brugia malayi Papain family cysteine protease containing protein 0.0049 0.095 0.095
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0049 0.095 0.1461
Loa Loa (eye worm) hypothetical protein 0.0337 1 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0049 0.095 0.095

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 300 nM Negative chronotropic activity via A2 Adenosine receptor was tested monitoring vasodilation in rat aorta ChEMBL. 8201607
EC50 (functional) > 10 uM Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atria ChEMBL. 8201607
Ki (binding) = 11.3 nM Affinity for the adenosine A2 receptor was evaluated in a competition assay in rat striatum using [3H]-CGS- 21680 as radioligand ChEMBL. 8201607
Ki (binding) = 99.9 nM Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand ChEMBL. 8201607
Ratio (functional) = 2.2 Inhibition compared to inhibition by NECA (IC50 ratio) of rabbit platelet aggregation induced by ADP ChEMBL. 8201607

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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