Detailed information for compound 1188322

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.382 | Formula: C18H14N2OS
  • H donors: 0 H acceptors: 2 LogP: 4.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCOc1nc(nc2c1c1CCCc1s2)c1ccccc1
  • InChi: 1S/C18H14N2OS/c1-2-11-21-17-15-13-9-6-10-14(13)22-18(15)20-16(19-17)12-7-4-3-5-8-12/h1,3-5,7-8H,6,9-11H2
  • InChiKey: IICKBYVHIMFPLZ-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
Rattus norvegicus Adenosine A2a 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 mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 274 aa 22.6 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 304 aa 21.1 %
Echinococcus multilocularis allatostatin A receptor Adenosine A2a receptor   410 aa 372 aa 22.8 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Adenosine A2a receptor   410 aa 366 aa 25.4 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 286 aa 26.9 %
Onchocerca volvulus Adenosine A2a receptor   410 aa 337 aa 23.1 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 300 aa 24.3 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.9 %
Echinococcus granulosus neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Schistosoma mansoni dro/myosuppressin receptor Adenosine A1 receptor   326 aa 326 aa 22.1 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Adenosine A1 receptor   326 aa 295 aa 28.1 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 327 aa 24.8 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A2a receptor   410 aa 352 aa 23.6 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 317 aa 24.6 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 306 aa 21.2 %
Schistosoma mansoni biogenic amine (5HT) receptor Adenosine A2a receptor   410 aa 399 aa 28.1 %
Echinococcus granulosus allatostatin A receptor Adenosine A2a receptor   410 aa 368 aa 22.6 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Adenosine A2a receptor   410 aa 340 aa 27.9 %
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 %
Onchocerca volvulus Adenosine A2a receptor   410 aa 356 aa 23.9 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Adenosine A2a receptor   410 aa 346 aa 28.3 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 305 aa 21.0 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 323 aa 20.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.007 0.007
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.2211 0.64
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0106 0.1192 1
Loa Loa (eye worm) glutathione reductase 0.0141 0.1703 0.2513
Trypanosoma cruzi hypothetical protein, conserved 0.0106 0.1192 0.6903
Leishmania major alpha glucosidase II subunit, putative 0.0106 0.1192 0.6903
Onchocerca volvulus 0.0038 0.0171 0.0455
Brugia malayi PAS domain containing protein 0.0049 0.0337 0.0496
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0367 0.1908
Loa Loa (eye worm) acetyltransferase 0.0142 0.1719 0.2536
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0367 0.0367
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0031 0.0058 0.0058
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.2077 0.5538
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0367 0.0367
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0321 0.4399 0.8896
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0031 0.0058 0.0058
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0464 0.0464
Onchocerca volvulus Cathepsin F homolog 0.0038 0.0171 0.0455
Onchocerca volvulus 0.0038 0.0171 0.0455
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0367 0.0367
Echinococcus multilocularis lysine specific demethylase 6a 0.0031 0.0058 0.0058
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.0328 0.1674
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0192 0.0284
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0031 0.0058 0.0036
Trypanosoma cruzi hypothetical protein, conserved 0.0106 0.1192 0.6903
Schistosoma mansoni alpha glucosidase 0.0106 0.1192 0.1192
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0049 0.0328 0.0328
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0292 0.0292
Plasmodium vivax vivapain-2 0.0038 0.0171 0.0685
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0049 0.0328 0.6712
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.02 0.2595 0.2595
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.0328 0.1674
Toxoplasma gondii melibiase subfamily protein 0.02 0.2595 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0036 0.0135 0.0199
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0049 0.0328 0.1674
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0031 0.0058 0.0135
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0464 0.0464
Brugia malayi Cathepsin L-like precursor 0.0038 0.0171 0.0252
Brugia malayi Papain family cysteine protease containing protein 0.0038 0.0171 0.0252
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0292 0.0292
Brugia malayi hypothetical protein 0.0165 0.2073 0.3059
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0049 0.0328 0.1643
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0321 0.4399 0.8896
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.3376 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0049 0.0328 0.0484
Loa Loa (eye worm) jmjC domain-containing protein 0.0031 0.0058 0.0085
Schistosoma mansoni hypothetical protein 0.0031 0.007 0.007
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0367 0.1908
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.004 0.0192 0.085
Brugia malayi Cytochrome P450 family protein 0.003 0.0052 0.0077
Leishmania major cathepsin L-like protease 0.0038 0.0171 0.0718
Mycobacterium tuberculosis Probable reductase 0.0321 0.4399 0.8896
Trichomonas vaginalis sucrase-isomaltase, putative 0.0106 0.1192 0.3252
Entamoeba histolytica cysteine proteinase, putative 0.0038 0.0171 0.0297
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0028 0.0023 0.0023
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0049 0.0328 0.0328
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0049 0.0328 0.1643
Echinococcus granulosus cathepsin l1 0.0038 0.0171 0.0171
Trichomonas vaginalis mercuric reductase, putative 0.0049 0.0328 0.0584
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0479 0.6778 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.1719 0.1719
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.0328 0.1674
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0119 0.1387 0.1387
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0292 0.0292
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0367 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0049 0.0328 0.1674
Leishmania major hypothetical protein, conserved 0.0031 0.0058 0.0036
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0049 0.0328 0.0506
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.007 0.0104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0292 0.0292
Brugia malayi Cathepsin L-like precursor 0.0038 0.0171 0.0252
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0367 0.0704
Schistosoma mansoni protein phosphatase 2C 0.0031 0.0058 0.0058
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0038 0.0171 0.0097
Schistosoma mansoni lipoxygenase 0.0119 0.1387 0.1387
Plasmodium falciparum thioredoxin reductase 0.0049 0.0328 0.1643
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0405 0.0598
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0356 0.4935 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.0328 0.1674
Schistosoma mansoni lipoxygenase 0.0083 0.0849 0.0849
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0031 0.0058 0.0058
Loa Loa (eye worm) fibroinase 0.0038 0.0171 0.0252
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0038 0.0171 0.0685
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0367 0.1908
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0367 0.1908
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1089 0.1606
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0367 0.1908
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.2077 0.5987
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0119 0.1387 0.1387
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.007 0.007
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.3376 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0038 0.0171 0.0097
Mycobacterium tuberculosis Probable dehydrogenase 0.0321 0.4399 0.8896
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0038 0.0171 0.0171
Brugia malayi Melibiase family protein 0.0133 0.1597 0.2356
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0049 0.0328 0.1674
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0145 0.0145
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1089 0.1606
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0171 0.0685
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0464 0.0464
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0464 0.2493
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0859 0.4886
Leishmania major glycosyl hydrolase-like protein 0.004 0.0192 0.085
Trypanosoma cruzi cruzipain precursor, putative 0.0084 0.0859 0.4886
Loa Loa (eye worm) ctsf protein 0.0038 0.0171 0.0252
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0337 0.0337
Leishmania major cathepsin L-like protease 0.0084 0.0859 0.4886
Echinococcus granulosus lysosomal alpha glucosidase 0.0479 0.6778 0.6778
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1192 0.3252
Schistosoma mansoni jumonji/arid domain-containing protein 0.0115 0.132 0.132
Onchocerca volvulus 0.0038 0.0171 0.0455
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0252 0.3376 0.4981
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0145 0.0214
Brugia malayi Latrophilin receptor protein 2 0.0031 0.007 0.0104
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0.0328 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.2077 0.5987
Echinococcus multilocularis phd:f box containing protein 0.0031 0.0058 0.0058
Trichomonas vaginalis maltase-glucoamylase, putative 0.0106 0.1192 0.3252
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0192 0.0164
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0321 0.4399 0.8896
Echinococcus granulosus lysine specific demethylase 6a 0.0031 0.0058 0.0058
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0292 0.0432
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0052 0.0077
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Loa Loa (eye worm) CYP4Cod1 0.003 0.0052 0.0077
Brugia malayi Inositol-1 0.0036 0.0139 0.0205
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.1659 0.1659
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0367 0.0704
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.2077 0.5987
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.02 0.2595 0.2595
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0106 0.1192 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0464 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0052 0.0077
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.02 0.2595 0.2595
Onchocerca volvulus 0.0038 0.0171 0.0455
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.004 0.0192 0.0284
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.007 0.007
Schistosoma mansoni phd/f-box containing protein 0.0031 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0133 0.1597 0.2356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Mycobacterium tuberculosis Probable oxidoreductase 0.0356 0.4935 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0038 0.0171 0.0097
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0049 0.0328 0.1674
Brugia malayi Glycosyl hydrolases family 31 protein 0.0479 0.6778 1
Plasmodium falciparum glutathione reductase 0.0141 0.1703 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0192 0.0164
Toxoplasma gondii cathepsin CPL 0.0038 0.0171 0.0573
Trypanosoma cruzi trypanothione reductase, putative 0.0141 0.1703 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0139 0.0529
Brugia malayi hypoxia-induced factor 1 0.0152 0.1881 0.2776
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.0328 0.1674
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0049 0.0328 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0038 0.0171 0.0097
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0292 0.0292
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.02 0.2595 0.2595
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0106 0.1192 0.1759
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0367 0.0704
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0367 0.0704
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.2211 0.64
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0222 0.0775
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0356 0.4935 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0049 0.0328 0.5
Brugia malayi jmjC domain containing protein 0.0031 0.0058 0.0085
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0038 0.0171 0.0171
Echinococcus granulosus cathepsin L cysteine proteinase 0.0038 0.0171 0.0171
Echinococcus granulosus cathepsin l cysteine peptidase 0.0038 0.0171 0.0171
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0133 0.1597 0.1597
Loa Loa (eye worm) hypothetical protein 0.0031 0.007 0.0104
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1192 0.3252
Onchocerca volvulus 0.0036 0.0145 0.0386
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0367 0.0367
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0038 0.0171 0.0252
Plasmodium falciparum glutathione reductase 0.0049 0.0328 0.1643
Schistosoma mansoni cathepsin F (C01 family) 0.0038 0.0171 0.0171
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.2077 0.5987
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Echinococcus multilocularis JmjC domain containing protein 4 0.0031 0.0058 0.0058
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.3376 1
Onchocerca volvulus 0.0038 0.0171 0.0455
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0328 0.1674
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0038 0.0171 0.0097
Leishmania major cathepsin L-like protease 0.0038 0.0171 0.0718
Echinococcus granulosus JmjC domain containing protein 4 0.0031 0.0058 0.0058
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0222 0.0257
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 0.3376 0.4981
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0192 0.0164
Brugia malayi Cathepsin L-like precursor 0.0038 0.0171 0.0252
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0145 0.2258
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0139 0.0529
Entamoeba histolytica cysteine protease, putative 0.0038 0.0171 0.0297
Schistosoma mansoni phosphatidylserine receptor 0.0031 0.0058 0.0058
Loa Loa (eye worm) inositol-1 0.0036 0.0139 0.0205
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.3376 1
Echinococcus granulosus single minded 2 0.0036 0.0145 0.0145
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0859 0.4886
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0367 0.1337
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0106 0.1192 0.3252
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.007 0.007
Leishmania major cysteine peptidase A (CPA) 0.0038 0.0171 0.0718
Schistosoma mansoni inositol monophosphatase 0.0036 0.0139 0.0139
Brugia malayi glutathione reductase 0.0141 0.1703 0.2513
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.3376 1
Echinococcus granulosus phd:f box containing protein 0.0031 0.0058 0.0058
Echinococcus multilocularis GPCR, family 2 0.0031 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0068 0.0617 0.0911
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0192 0.0504
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1192 0.3252
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0049 0.0328 0.1643
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0038 0.0171 0.0097
Schistosoma mansoni jumonji/arid domain-containing protein 0.0115 0.132 0.132
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0139 0.0451
Loa Loa (eye worm) cysteine protease 0.0038 0.0171 0.0252
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0139 0.0529
Echinococcus multilocularis jumonji domain containing 1A 0.0031 0.0058 0.0058
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.1719 0.1719
Brugia malayi jmjC domain containing protein 0.0115 0.132 0.1947
Plasmodium falciparum cysteine proteinase falcipain 3 0.0038 0.0171 0.0685
Leishmania major trypanothione reductase 0.0141 0.1703 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.02 0.2595 0.2595
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0049 0.0328 0.1643
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.0498 0.0734
Brugia malayi Cathepsin L-like precursor 0.0038 0.0171 0.0252
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.2077 0.5987
Echinococcus multilocularis lysine specific demethylase 5A 0.0115 0.132 0.132
Loa Loa (eye worm) hypoxia-induced factor 1 0.0152 0.1881 0.2776
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0038 0.0171 0.0252
Plasmodium vivax thioredoxin reductase, putative 0.0141 0.1703 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0115 0.132 0.1947
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Trypanosoma brucei glucosidase, putative 0.0106 0.1192 0.6903
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0031 0.0058 0.0135
Echinococcus granulosus jumonji domain containing 1A 0.0031 0.0058 0.0058
Brugia malayi Cathepsin L-like precursor 0.0038 0.0171 0.0252
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0106 0.1192 0.3252
Loa Loa (eye worm) hypothetical protein 0.0031 0.0058 0.0085
Schistosoma mansoni inositol monophosphatase 0.0036 0.0139 0.0139
Leishmania major cathepsin L-like protease 0.0084 0.0859 0.4886
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.3113 0.4593
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Toxoplasma gondii NADPH-glutathione reductase 0.0049 0.0328 0.1186
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0139 0.0139
Brugia malayi Cytochrome P450 family protein 0.006 0.0498 0.0734
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0049 0.0328 0.1674
Trypanosoma brucei trypanothione reductase 0.0141 0.1703 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1192 0.3252
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0139 0.0139
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1089 0.1606
Echinococcus granulosus lysine specific demethylase 5A 0.0115 0.132 0.132
Loa Loa (eye worm) hypothetical protein 0.0099 0.1089 0.1606
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0292 0.0432
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0133 0.1597 0.1597
Schistosoma mansoni single-minded 0.0049 0.0337 0.0337
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.2077 0.5987
Trypanosoma cruzi cysteine peptidase, putative 0.0038 0.0171 0.0718
Leishmania major cathepsin L-like protease 0.0038 0.0171 0.0718
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.004 0.0192 0.0513
Brugia malayi MAP kinase sur-1 0.0051 0.0367 0.0542
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.007 0.0104
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0192 0.0164
Leishmania major cathepsin L-like protease 0.0038 0.0171 0.0718
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0617 0.0911
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0049 0.0328 0.1674
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0139 0.2122
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Brugia malayi Cathepsin L-like precursor 0.0038 0.0171 0.0252
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0031 0.0058 0.0036
Schistosoma mansoni alpha-glucosidase 0.0413 0.5778 0.5778
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0071 0.067 0.3742
Schistosoma mansoni hypothetical protein 0.0068 0.0617 0.0617
Brugia malayi Thioredoxin reductase 0.0141 0.1703 0.2513
Echinococcus multilocularis cathepsin L cysteine protease 0.0038 0.0171 0.0171
Loa Loa (eye worm) thioredoxin reductase 0.0141 0.1703 0.2513
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0356 0.4935 1
Trypanosoma brucei protein kinase, putative 0.0051 0.0367 0.1908
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0133 0.1597 0.4504
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.004 0.0192 0.085
Leishmania major cathepsin L-like protease 0.0038 0.0171 0.0718
Brugia malayi jmjC domain containing protein 0.0031 0.0058 0.0085
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0038 0.0171 0.0097
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0464 0.0684
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Echinococcus multilocularis cathepsin L cysteine protease 0.0038 0.0171 0.0171
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0038 0.0171 0.0097
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0038 0.0171 0.0097
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0049 0.0328 0.1186
Loa Loa (eye worm) hypothetical protein 0.0038 0.0171 0.0252
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.02 0.2595 0.2595
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0367 0.1908
Leishmania major cathepsin L-like protease 0.0084 0.0859 0.4886
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0049 0.0328 0.1674
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0292 0.0292
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0038 0.0171 0.0685
Echinococcus multilocularis cysteine protease 0.0038 0.0171 0.0171
Schistosoma mansoni hypothetical protein 0.0031 0.007 0.007
Onchocerca volvulus 0.0277 0.3751 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.0393 0.2064
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Brugia malayi jmjC domain containing protein 0.0115 0.132 0.1947
Schistosoma mansoni jumonji domain containing protein 0.0115 0.132 0.132
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0049 0.0328 0.0328
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.132 0.132
Treponema pallidum NADH oxidase 0.0049 0.0328 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0106 0.1192 0.1759
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0038 0.0171 0.0097
Schistosoma mansoni jumonji domain containing protein 0.0031 0.0058 0.0058
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0049 0.0328 0.6712
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0036 0.0135 0.0199
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0049 0.0328 0.1674
Echinococcus multilocularis lysosomal alpha glucosidase 0.0479 0.6778 0.6778
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0031 0.0058 0.0036
Echinococcus granulosus neutral alpha glucosidase AB 0.0106 0.1192 0.1192
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0049 0.0328 0.1674
Brugia malayi MH2 domain containing protein 0.0235 0.3113 0.4593
Loa Loa (eye worm) hypothetical protein 0.0031 0.0058 0.0085
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0222 0.0257
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1192 0.3252
Echinococcus multilocularis Glycoside hydrolase, family 27 0.02 0.2595 0.2595
Schistosoma mansoni cathepsin F (C01 family) 0.0038 0.0171 0.0171
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0192 0.0164
Giardia lamblia NADH oxidase lateral transfer candidate 0.0049 0.0328 0.8028
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.132 0.132
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0141 0.1703 0.334
Trichomonas vaginalis glutathione reductase, putative 0.0049 0.0328 0.0584
Schistosoma mansoni hypothetical protein 0.0031 0.007 0.007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0292 0.0292
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0367 0.0542
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0464 0.0785
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0859 0.4886
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0367 0.1908
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0038 0.0171 0.0097
Onchocerca volvulus 0.0038 0.0171 0.0455
Echinococcus granulosus GPCR family 2 0.0031 0.007 0.007
Loa Loa (eye worm) jmjC domain-containing protein 0.0031 0.0058 0.0085
Schistosoma mansoni alpha-glucosidase 0.0413 0.5778 0.5778
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0321 0.4399 0.8896
Toxoplasma gondii thioredoxin reductase 0.0141 0.1703 0.6533
Echinococcus multilocularis neutral alpha glucosidase AB 0.0106 0.1192 0.1192
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0139 0.0529
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0222 0.0775
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.3376 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0049 0.0328 0.1674
Onchocerca volvulus Cathepsin L homolog 0.0038 0.0171 0.0455
Loa Loa (eye worm) jmjC domain-containing protein 0.0031 0.0058 0.0085
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0038 0.0171 0.0097
Schistosoma mansoni hypothetical protein 0.0031 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0165 0.2073 0.3059
Echinococcus granulosus thioredoxin glutathione reductase 0.0141 0.1703 0.1703
Brugia malayi jmjC domain containing protein 0.0031 0.0058 0.0085
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0192 0.0164
Brugia malayi Cytochrome P450 family protein 0.003 0.0052 0.0077
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0222 0.0222
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0222 0.1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0321 0.4399 0.8896
Echinococcus multilocularis lysosomal alpha glucosidase 0.0479 0.6778 0.6778
Plasmodium vivax glutathione reductase, putative 0.0141 0.1703 1
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.1719 0.2536
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0192 0.0164
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.2077 0.5987
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0192 0.0164
Entamoeba histolytica cysteine proteinase, putative 0.0038 0.0171 0.0297
Loa Loa (eye worm) hypothetical protein 0.0031 0.0058 0.0085
Plasmodium falciparum thioredoxin reductase 0.0141 0.1703 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0049 0.0328 0.1674
Trypanosoma brucei glycosyl hydrolase-like protein 0.004 0.0192 0.085
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0464 1
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0859 0.4886
Onchocerca volvulus Cathepsin L homolog 0.0038 0.0171 0.0455
Plasmodium vivax vivapain-2 0.0038 0.0171 0.0685
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0171 0.0297
Onchocerca volvulus 0.0038 0.0171 0.0455
Echinococcus multilocularis cysteine protease 0.0038 0.0171 0.0171
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.3113 0.4593
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0106 0.1192 0.4544
Brugia malayi jmjC domain containing protein 0.0031 0.0058 0.0085
Echinococcus multilocularis thioredoxin glutathione reductase 0.0141 0.1703 0.1703
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0049 0.0328 0.6712

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = -10 nM Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting ChEMBL. 20116907
Ki (binding) = -3 nM Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting ChEMBL. 20116907

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

No literature references available for this target.

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