Detailed information for compound 974278

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.437 | Formula: C25H17F3N6O
  • H donors: 1 H acceptors: 5 LogP: 5.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)C(F)(F)F)Nc1nc(nc2c1nnn2Cc1ccccc1)c1ccccc1
  • InChi: 1S/C25H17F3N6O/c26-25(27,28)19-13-7-12-18(14-19)24(35)31-22-20-23(30-21(29-22)17-10-5-2-6-11-17)34(33-32-20)15-16-8-3-1-4-9-16/h1-14H,15H2,(H,29,30,31,35)
  • InChiKey: XUOCMKDBZQTIBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adenosine A1 receptor Starlite/ChEMBL References
Homo sapiens adenosine A3 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
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 286 aa 26.9 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 323 aa 20.7 %
Schistosoma mansoni dro/myosuppressin receptor Adenosine A1 receptor   326 aa 326 aa 22.1 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 327 aa 24.8 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 22.7 %
Echinococcus multilocularis allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.9 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 274 aa 22.6 %
Echinococcus granulosus neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 306 aa 21.2 %
Echinococcus multilocularis neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 311 aa 21.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A1 receptor   326 aa 315 aa 21.6 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 305 aa 21.0 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 304 aa 21.1 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Adenosine A1 receptor   326 aa 295 aa 28.1 %
Echinococcus granulosus allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 300 aa 24.3 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 317 aa 24.6 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0014 0.000001055
Schistosoma mansoni hypothetical protein 0.0039 0.0398 0.0968
Entamoeba histolytica hypothetical protein 0.0035 0.0339 0.2949
Mycobacterium ulcerans glutaminase 0.0264 0.3299 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0017 0.0111 0.0298
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0417 0.0405
Mycobacterium leprae Conserved hypothetical protein 0.0017 0.0111 0.5662
Echinococcus multilocularis protein dispatched 1 0.0047 0.0492 0.0479
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0017 0.0111 0.136
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0221 0.423
Echinococcus granulosus expressed conserved protein 0.0089 0.1044 0.259
Entamoeba histolytica hypothetical protein 0.0035 0.0339 0.2949
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0186 0.0526
Brugia malayi hypothetical protein 0.0035 0.0339 0.0819
Echinococcus multilocularis muscleblind protein 1 0.0144 0.1753 0.1742
Loa Loa (eye worm) hypothetical protein 0.0095 0.1118 0.2802
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.0503 1
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0014 0.00000034704
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0047 0.0503 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0017 0.0111 0.0298
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0017 0.0111 0.0298
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0017 0.0111 0.136
Schistosoma mansoni ap endonuclease 0.0018 0.0129 0.0291
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0017 0.0111 0.1999
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0017 0.0111 0.136
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0221 0.0553
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0129 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0034
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0017 0.0111 0.136
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0186 0.0526
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0129 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0512 0.1284
Brugia malayi Cytochrome P450 family protein 0.0026 0.0221 0.0521
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0129 0.0291
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0017 0.0111 0.0298
Schistosoma mansoni ap endonuclease 0.0018 0.0129 0.0291
Brugia malayi CHE-14 protein 0.0041 0.0417 0.1016
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.1118 0.2777
Echinococcus granulosus cytochrome P450 2K1 0.0017 0.0111 0.0246
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0047 0.0503 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0417 0.1046
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0017 0.0111 0.0298
Toxoplasma gondii cytochrome p450 superfamily protein 0.0017 0.0111 0.8442
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0186 0.0435
Echinococcus granulosus replication factor c subunit 1 0.001 0.0014 0.00000087135
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0186 0.0526
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0129 0.1049
Schistosoma mansoni glutaminase 0.0264 0.3299 0.826
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0186 0.1914
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0221 0.063
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0186 0.0526
Brugia malayi glutaminase DH11.1 0.0264 0.3299 0.826
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0017 0.0111 0.0298
Schistosoma mansoni hypothetical protein 0.0015 0.0087 0.0186
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0017 0.0111 0.1999
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0047 0.0503 0.1261
Entamoeba histolytica hypothetical protein 0.0035 0.0339 0.2949
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0017 0.0111 0.136
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0417 0.123
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0186 0.1565
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0129 0.0461
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0221 0.0553
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0129 0.0291
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0014 0.00000087135
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0587 0.1471
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0417 0.1046
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0112 0.028
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0017 0.0111 0.136
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0034
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.0503 1
Onchocerca volvulus 0.0047 0.0503 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0047 0.0503 0.1231
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0017 0.0111 0.136
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0316 0.076
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0112 0.8464
Brugia malayi Choline O-acetyltransferase 0.0318 0.3991 1
Echinococcus granulosus muscleblind protein 0.0144 0.1753 0.4373
Loa Loa (eye worm) hypothetical protein 0.0033 0.0316 0.0791
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0017 0.0111 0.136
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0087 0.0186
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0017 0.0111 0.0298
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0047 0.0503 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0087 0.0074
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0129 0.0353
Schistosoma mansoni hypothetical protein 0.0015 0.0087 0.0186
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0017 0.0111 0.0298
Entamoeba histolytica hypothetical protein 0.0035 0.0339 0.2949
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0129 0.0353
Brugia malayi Cytochrome P450 family protein 0.0026 0.0221 0.0521
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0417 0.1016
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.0503 1
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0047 0.0503 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0017 0.0111 0.1999
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0129 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0129 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0186 0.0526
Onchocerca volvulus 0.0047 0.0503 1
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.0503 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0129 0.0324
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0017 0.0111 0.0298
Leishmania major cytochrome p450-like protein 0.0026 0.0221 0.2788
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0017 0.0111 0.136
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0339 0.0819
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0512 0.1254
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0017 0.0111 0.0298
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0017 0.0111 0.0298
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0186 0.1565
Loa Loa (eye worm) hypothetical protein 0.0047 0.0503 0.1261
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0186 0.1914
Brugia malayi Muscleblind-like protein 0.0144 0.1753 0.4373
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0017 0.0111 0.136
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.1118 0.2777
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0017 0.0111 0.0298
Brugia malayi Cytochrome P450 family protein 0.0017 0.0111 0.0246
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0221 0.0553
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0129 0.2368
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0047 0.0503 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0047 0.0503 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0017 0.0111 0.0298
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0186 0.0526
Trypanosoma brucei cytochrome P450, putative 0.0026 0.0221 0.423
Brugia malayi Cytochrome P450 family protein 0.0054 0.0587 0.1442
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0186 1
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0017 0.0111 0.0298
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0087 0.0186
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0417 0.1016
Schistosoma mansoni hypothetical protein 0.0015 0.0087 0.0186
Leishmania major carnitine palmitoyltransferase-like protein 0.0047 0.0503 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0087 0.0219
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0017 0.0111 0.136
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0186 0.0435
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0047 0.0503 0.1231
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0047 0.0503 0.049
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0112 0.8464
Mycobacterium leprae putative cytochrome p450 0.0017 0.0111 0.5662
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0339 0.0326
Schistosoma mansoni hypothetical protein 0.0015 0.0087 0.0186
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0087 0.0219
Onchocerca volvulus 0.0023 0.0186 0.353
Echinococcus multilocularis protein patched 0.0041 0.0417 0.0405
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.1118 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0112 0.0299
Loa Loa (eye worm) hypothetical protein 0.0023 0.0186 0.0467
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0129 0.2368
Loa Loa (eye worm) choline O-acetyltransferase 0.0318 0.3991 1
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0047 0.0503 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0112 0.028
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0047 0.0503 0.1231
Toxoplasma gondii exonuclease III APE 0.0018 0.0129 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.1645 0.1634
Brugia malayi MH2 domain containing protein 0.0117 0.1406 0.35
Loa Loa (eye worm) hypothetical protein 0.0048 0.0512 0.1284
Echinococcus granulosus GPCR family 2 0.0015 0.0087 0.0186
Leishmania major carnitine/choline acetyltransferase, putative 0.0047 0.0503 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0047 0.0503 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0087 0.0186
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0047 0.0503 0.1261
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0017 0.0111 0.136
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0129 0.3441
Loa Loa (eye worm) hypothetical protein 0.0144 0.1753 0.4393
Loa Loa (eye worm) hypothetical protein 0.0017 0.0112 0.028
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1406 0.3522
Onchocerca volvulus 0.0047 0.0503 1
Schistosoma mansoni choline o-acyltransferase 0.0047 0.0503 0.1231
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0047 0.0503 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0186 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0047 0.0503 1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0047 0.0503 1
Trypanosoma brucei hypothetical protein, conserved 0.0047 0.0503 1
Schistosoma mansoni hypothetical protein 0.0017 0.0111 0.0246
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0034
Brugia malayi Choline O-acetyltransferase 0.0318 0.3991 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0186 0.0435
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0186 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0129 0.0116
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0017 0.0111 0.136
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0129 0.0353
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0034
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0017 0.0111 0.136
Loa Loa (eye worm) hypothetical protein 0.0017 0.0112 0.028
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0017 0.0111 0.0298
Schistosoma mansoni cytochrome P450 0.0017 0.0111 0.0246
Loa Loa (eye worm) hypothetical protein 0.0023 0.0186 0.0467
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0017 0.0111 0.0298
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0186 0.1565
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0017 0.0111 0.1999
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.1137 0.2825
Loa Loa (eye worm) cytochrome P450 0.0017 0.0111 0.0279
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0047 0.0503 0.049
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0017 0.0111 0.136
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0017 0.0111 0.136
Brugia malayi cytochrome P450 0.0017 0.0111 0.0246
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0017 0.0111 0.136
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0087 0.0186
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0014 0.000001055
Schistosoma mansoni hypothetical protein 0.0035 0.0339 0.0819
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0087 0.0074
Loa Loa (eye worm) glutaminase 2 0.0264 0.3299 0.8265
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.1118 0.1106
Mycobacterium ulcerans hypothetical protein 0.0023 0.0186 0.0526
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0017 0.0111 0.136
Echinococcus multilocularis 0.0017 0.0111 0.0098
Loa Loa (eye worm) hypothetical protein 0.0144 0.1753 0.4393
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0034
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0339 0.0819
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0129 1
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.1645 0.4102
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0047 0.0503 0.1231
Schistosoma mansoni patched 1 0.0041 0.0417 0.1016
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0186 1
Echinococcus multilocularis expressed conserved protein 0.0089 0.1044 0.1032
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0017 0.0111 0.0298
Schistosoma mansoni hypothetical protein 0.0039 0.0398 0.0968
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.0503 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0017 0.0111 0.0298
Onchocerca volvulus 0.0047 0.0503 1
Echinococcus granulosus choline O acetyltransferase 0.0318 0.3991 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0536 0.1343
Schistosoma mansoni hypothetical protein 0.0039 0.0398 0.0968
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1406 0.3522
Schistosoma mansoni hypothetical protein 0.0039 0.0398 0.0968
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0512 0.1254
Echinococcus multilocularis choline O acetyltransferase 0.0318 0.3991 0.3983
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0047 0.0503 0.1231
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0087 0.0074
Schistosoma mansoni hypothetical protein 0.0033 0.0316 0.076
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0047 0.0503 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0112 0.139
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0014 0.000001055
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0221 0.423
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0014 0.0000031374
Loa Loa (eye worm) glutaminase 0.0264 0.3299 0.8265
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0186 0.1914
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0186 0.0526
Echinococcus multilocularis muscleblind protein 0.0144 0.1753 0.1742
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0017 0.0111 0.0298
Loa Loa (eye worm) hypothetical protein 0.0017 0.0112 0.028
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0047 0.0503 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0017 0.0111 0.0298
Loa Loa (eye worm) hypothetical protein 0.0318 0.3991 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0017 0.0111 0.136
Trichomonas vaginalis glutaminase, putative 0.0264 0.3299 1
Schistosoma mansoni choline o-acyltransferase 0.0318 0.3991 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0129 0.2368
Loa Loa (eye worm) hypothetical protein 0.0023 0.0186 0.0467
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0017 0.0111 0.136

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 31 % Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells at 10 uM by liquid scintillation counting ChEMBL. 19230680
Ki (binding) = 163 nM Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting ChEMBL. 19230680
Ki (binding) = 2506 nM Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting ChEMBL. 19230680

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.

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