Detailed information for compound 1047205

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.805 | Formula: C12H15ClN6OS
  • H donors: 3 H acceptors: 3 LogP: 0.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NCc1cccc(n1)c1csc(n1)N=C(N)N.Cl
  • InChi: 1S/C12H14N6OS.ClH/c1-7(19)15-5-8-3-2-4-9(16-8)10-6-20-12(17-10)18-11(13)14;/h2-4,6H,5H2,1H3,(H,15,19)(H4,13,14,17,18);1H
  • InChiKey: XLPBGOLFQHJLMN-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
Cavia porcellus Histamine H2 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Alpha-1D adrenergic receptor, putative Get druggable targets OG5_128924 All targets in OG5_128924
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Get druggable targets OG5_128924 All targets in OG5_128924
Schistosoma mansoni amine GPCR Get druggable targets OG5_128924 All targets in OG5_128924
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein Histamine H2 receptor   359 aa 292 aa 20.9 %
Onchocerca volvulus Histamine H2 receptor   359 aa 319 aa 26.0 %
Loa Loa (eye worm) neuropeptide F receptor Histamine H2 receptor   359 aa 289 aa 23.5 %
Onchocerca volvulus Histamine H2 receptor   359 aa 311 aa 22.2 %
Echinococcus multilocularis allatostatin A receptor Histamine H2 receptor   359 aa 351 aa 25.4 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Histamine H2 receptor   359 aa 318 aa 24.8 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Histamine H2 receptor   359 aa 305 aa 24.3 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Histamine H2 receptor   359 aa 301 aa 28.6 %
Loa Loa (eye worm) hypothetical protein Histamine H2 receptor   359 aa 311 aa 23.8 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Histamine H2 receptor   359 aa 353 aa 32.9 %
Echinococcus granulosus orexin receptor type 2 Histamine H2 receptor   359 aa 296 aa 22.6 %
Echinococcus granulosus growth hormone secretagogue receptor type 1 Histamine H2 receptor   359 aa 325 aa 24.0 %
Echinococcus granulosus thyrotropin releasing hormone receptor Histamine H2 receptor   359 aa 319 aa 25.1 %
Brugia malayi GnHR receptor homolog Histamine H2 receptor   359 aa 295 aa 21.4 %
Schistosoma mansoni peptide (allatostatin)-like receptor Histamine H2 receptor   359 aa 310 aa 25.2 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Histamine H2 receptor   359 aa 393 aa 20.1 %
Onchocerca volvulus Histamine H2 receptor   359 aa 296 aa 22.3 %
Echinococcus granulosus allatostatin A receptor Histamine H2 receptor   359 aa 328 aa 25.0 %
Schistosoma mansoni biogenic amine (5HT) receptor Histamine H2 receptor   359 aa 348 aa 32.5 %
Onchocerca volvulus Histamine H2 receptor   359 aa 303 aa 23.4 %
Onchocerca volvulus Histamine H2 receptor   359 aa 330 aa 32.1 %
Onchocerca volvulus Histamine H2 receptor   359 aa 325 aa 24.3 %
Onchocerca volvulus Histamine H2 receptor   359 aa 289 aa 26.0 %
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Histamine H2 receptor   359 aa 370 aa 20.3 %
Onchocerca volvulus Cyclin-dependent kinase 20 homolog Histamine H2 receptor   359 aa 362 aa 21.8 %
Onchocerca volvulus Histamine H2 receptor   359 aa 342 aa 21.6 %
Schistosoma mansoni neuropeptide F-like receptor Histamine H2 receptor   359 aa 302 aa 21.5 %
Echinococcus multilocularis orexin receptor type 2 Histamine H2 receptor   359 aa 293 aa 23.2 %
Onchocerca volvulus Histamine H2 receptor   359 aa 291 aa 18.2 %
Schistosoma mansoni adenoreceptor Histamine H2 receptor   359 aa 309 aa 27.2 %
Schistosoma japonicum Rhodopsin, putative Histamine H2 receptor   359 aa 319 aa 20.1 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Histamine H2 receptor   359 aa 291 aa 20.6 %
Loa Loa (eye worm) hypothetical protein Histamine H2 receptor   359 aa 296 aa 27.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni lipoxygenase 0.1483 0.9645 0.9645
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0186 0.0186
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0186 0.018
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0013 0.0013
Echinococcus multilocularis geminin 0.0176 0.1022 0.1017
Toxoplasma gondii NADPH-glutathione reductase 0.0048 0.0177 0.0873
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0048 0.0177 0.056
Loa Loa (eye worm) hypothetical protein 0.0044 0.0151 0.0191
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0231 0.0225
Echinococcus granulosus methylthioadenosine phosphorylase 0.0318 0.1958 0.1953
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0048 0.0177 0.5
Trypanosoma brucei uridine phosphorylase 0.0318 0.1958 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.1537 1 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0318 0.1958 1
Echinococcus granulosus purine nucleoside phosphorylase 0.1537 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0255 0.0249
Brugia malayi PHD-finger family protein 0.0026 0.0029 0.0023
Echinococcus multilocularis snurportin 1 0.0326 0.2009 0.2004
Echinococcus granulosus lipoxygenase domain containing protein 0.0484 0.3051 0.3046
Brugia malayi jmjC domain containing protein 0.0048 0.0177 0.017
Echinococcus granulosus jumonji domain containing 1A 0.0048 0.0177 0.017
Echinococcus granulosus purine nucleoside phosphorylase 0.1537 1 1
Onchocerca volvulus 0.0484 0.3051 0.2919
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0186 0.0186
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0318 0.1958 0.1953
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0255 0.1273
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0196 0.115 0.1144
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0255 0.0255
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0656 0.0831
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0353 0.219 0.2049
Echinococcus granulosus lipoxygenase domain containing protein 0.0484 0.3051 0.3046
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.1537 1 1
Plasmodium vivax hypothetical protein, conserved 0.0049 0.0181 0.0572
Mycobacterium tuberculosis Hypothetical protein 0.0318 0.1958 0.1814
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.0177 0.0873
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0318 0.1958 0.1814
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0231 0.0225
Leishmania major nucleoside phosphorylase-like protein 0.0318 0.1958 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0194 0.0245
Echinococcus multilocularis uridine phosphorylase 1 0.0318 0.1958 0.1953
Loa Loa (eye worm) hypothetical protein 0.0031 0.006 0.0076
Loa Loa (eye worm) hypothetical protein 0.0256 0.1549 0.1961
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0048 0.0177 0.0873
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0318 0.1958 0.1814
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.1958 0.1953
Loa Loa (eye worm) hypothetical protein 0.0048 0.0177 0.0223
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.1958 0.1953
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0048 0.0177 0.5
Mycobacterium tuberculosis Probable reductase 0.0318 0.1955 0.1811
Leishmania major trypanothione reductase 0.0139 0.0778 0.3951
Loa Loa (eye worm) doublecortin family protein 0.0484 0.3051 0.3862
Echinococcus multilocularis lipoxygenase domain containing protein 0.0484 0.3051 0.3046
Brugia malayi mbt repeat family protein 0.005 0.0186 0.018
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0353 0.219 0.2049
Schistosoma mansoni polycystin 1-related 0.0484 0.3051 0.3051
Schistosoma mansoni uridine phosphorylase 0.0318 0.1958 0.1958
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0318 0.1958 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0186 0.0235
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0048 0.0177 0.0873
Brugia malayi jmjC domain containing protein 0.0048 0.0177 0.017
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0048 0.0177 0.0873
Schistosoma mansoni hypothetical protein 0.0484 0.3051 0.3051
Echinococcus multilocularis purine nucleoside phosphorylase 0.1537 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0022 0.0077
Brugia malayi Bromodomain containing protein 0.0152 0.0861 0.0855
Echinococcus granulosus geminin 0.0176 0.1022 0.1017
Echinococcus granulosus purine nucleoside phosphorylase 0.1537 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0318 0.1958 0.1953
Plasmodium vivax importin-beta 2, putative 0.0031 0.006 0.0175
Onchocerca volvulus 0.006 0.0255 0.007
Trichomonas vaginalis glutathione reductase, putative 0.0048 0.0177 0.017
Loa Loa (eye worm) hypothetical protein 0.004 0.0122 0.0154
Trypanosoma brucei trypanothione reductase 0.0139 0.0778 0.3951
Echinococcus granulosus histone lysine methyltransferase setb 0.0078 0.0372 0.0366
Loa Loa (eye worm) hypothetical protein 0.0048 0.0177 0.0223
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0196 0.115 0.1144
Brugia malayi Pre-SET motif family protein 0.006 0.0255 0.0249
Plasmodium vivax multidomain scavenger receptor, putative 0.0484 0.3051 1
Brugia malayi PHD-finger family protein 0.0149 0.0844 0.0838
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0268 0.0262
Echinococcus granulosus purine nucleoside phosphorylase 0.1537 1 1
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.1537 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1537 1 1
Brugia malayi PHD-finger family protein 0.0051 0.0194 0.0187
Echinococcus granulosus lysine specific demethylase 6a 0.0048 0.0177 0.017
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0048 0.0177 0.0177
Echinococcus multilocularis RUN 0.0484 0.3051 0.3046
Echinococcus granulosus lysine specific demethylase 5A 0.0183 0.1065 0.1059
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0318 0.1958 1
Schistosoma mansoni rab6-interacting 0.0484 0.3051 0.3051
Toxoplasma gondii PHD-finger domain-containing protein 0.0149 0.0844 0.4293
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0048 0.0177 0.0873
Schistosoma mansoni purine nucleoside phosphorylase 0.1537 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0048 0.0177 0.017
Plasmodium falciparum LCCL domain-containing protein 0.0484 0.3051 1
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0318 0.1958 0.1814
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0353 0.219 0.0291
Schistosoma mansoni jumonji domain containing protein 0.0048 0.0177 0.0177
Leishmania major hypothetical protein, conserved 0.0048 0.0177 0.0871
Echinococcus granulosus peregrin 0.0152 0.0861 0.0855
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.1483 0.9645 0.9645
Schistosoma mansoni bromodomain containing protein 0.0066 0.0293 0.0293
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0022 0.0015
Loa Loa (eye worm) uridine phosphorylase 0.0318 0.1958 0.2479
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0049 0.0181 0.0572
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0048 0.0177 0.0871
Schistosoma mansoni hypothetical protein 0.0176 0.1022 0.1022
Echinococcus multilocularis lipoxygenase domain containing protein 0.0484 0.3051 0.3046
Brugia malayi F/Y-rich N-terminus family protein 0.0053 0.0208 0.0202
Echinococcus granulosus uridine phosphorylase 1 0.0318 0.1958 0.1953
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0048 0.0177 0.0873
Echinococcus multilocularis jumonji domain containing 1A 0.0048 0.0177 0.017
Schistosoma mansoni phd/f-box containing protein 0.0048 0.0177 0.0177
Echinococcus multilocularis lysine specific demethylase 6a 0.0048 0.0177 0.017
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0149 0.0844 0.0844
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0078 0.0372 0.0366
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0078 0.0372 0.0372
Echinococcus multilocularis microtubule associated protein 2 0.0675 0.4314 0.4311
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0139 0.0778 0.0612
Brugia malayi hypothetical protein 0.0484 0.3051 0.3046
Loa Loa (eye worm) hypothetical protein 0.0149 0.0844 0.1069
Brugia malayi Importin beta-1 subunit 0.0031 0.006 0.0053
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0186 0.018
Echinococcus multilocularis phd:f box containing protein 0.0048 0.0177 0.017
Echinococcus granulosus importin subunit beta 1 0.0031 0.006 0.0053
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0318 0.1955 0.1811
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0186 0.0235
Echinococcus granulosus RUN 0.0484 0.3051 0.3046
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0318 0.1958 0.1953
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0013 0.0007
Loa Loa (eye worm) hypothetical protein 0.0042 0.0138 0.0175
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0318 0.1955 0.1811
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0489 0.3088 0.3083
Brugia malayi mbt repeat family protein 0.005 0.0186 0.018
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0318 0.1958 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0326 0.2009 0.2543
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0105 0.0099
Giardia lamblia NADH oxidase lateral transfer candidate 0.0048 0.0177 0.017
Schistosoma mansoni hypothetical protein 0.0049 0.0181 0.0181
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0318 0.1958 1
Schistosoma mansoni ran 0.0022 0.0006 0.0006
Loa Loa (eye worm) jmjC domain-containing protein 0.0048 0.0177 0.0223
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0049 0.0181 0.0892
Plasmodium falciparum importin beta, putative 0.0031 0.006 0.0175
Schistosoma mansoni jumonji/arid domain-containing protein 0.0183 0.1065 0.1065
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0318 0.1958 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0344 0.0436
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0048 0.0177 0.0871
Plasmodium falciparum purine nucleoside phosphorylase 0.0318 0.1958 0.6412
Loa Loa (eye worm) jmjC domain-containing protein 0.0309 0.1894 0.2398
Trichomonas vaginalis set domain proteins, putative 0.0477 0.3006 0.3001
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0231 0.0225
Echinococcus multilocularis PHD finger protein rhinoceros 0.0149 0.0844 0.0838
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0048 0.0177 0.0177
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.1219 0.79 0.7899
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0051 0.0195 0.0195
Onchocerca volvulus 0.0484 0.3051 0.2919
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0231 0.0225
Brugia malayi MTAP 0.0318 0.1958 0.1953
Echinococcus granulosus Polycystic kidney disease protein 0.0484 0.3051 0.3046
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0048 0.0177 0.056
Brugia malayi jmjC domain containing protein 0.0048 0.0177 0.017
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0006 0.0008
Schistosoma mansoni methylthioadenosine phosphorylase 0.0318 0.1958 0.1958
Echinococcus multilocularis peregrin 0.0152 0.0861 0.0855
Loa Loa (eye worm) hypothetical protein 0.0057 0.0231 0.0293
Loa Loa (eye worm) hypothetical protein 0.0484 0.3051 0.3862
Echinococcus multilocularis purine nucleoside phosphorylase 0.1537 1 1
Giardia lamblia UPL-1 0.0318 0.1958 0.1953
Brugia malayi glutathione reductase 0.0139 0.0778 0.0772
Brugia malayi hypothetical protein 0.0484 0.3051 0.3046
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0048 0.0177 0.0871
Echinococcus granulosus purine nucleoside phosphorylase 0.1537 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.1537 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.024 0.0234
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0013 0.0007
Brugia malayi jmjC domain containing protein 0.0048 0.0177 0.017
Plasmodium falciparum phd finger protein, putative 0.0149 0.0844 0.2752
Schistosoma mansoni jumonji/arid domain-containing protein 0.0183 0.1065 0.1065
Schistosoma mansoni rab6-interacting 0.0484 0.3051 0.3051
Brugia malayi AF-10 protein 0.0049 0.0181 0.0174
Brugia malayi jmjC domain containing protein 0.0183 0.1065 0.1059
Schistosoma mansoni hypothetical protein 0.0302 0.1851 0.1851
Entamoeba histolytica hypothetical protein 0.0318 0.1958 1
Echinococcus granulosus purine nucleoside phosphorylase 0.1537 1 1
Plasmodium falciparum glutathione reductase 0.0139 0.0778 0.2533
Loa Loa (eye worm) MBCTL1 0.0057 0.0231 0.0293
Plasmodium vivax hypothetical protein, conserved 0.0149 0.0844 0.2752
Trichomonas vaginalis mercuric reductase, putative 0.0048 0.0177 0.017
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0318 0.1958 0.1953
Loa Loa (eye worm) thioredoxin reductase 0.0139 0.0778 0.0984
Schistosoma mansoni methylthioadenosine phosphorylase 0.0318 0.1958 0.1958
Loa Loa (eye worm) jmjC domain-containing protein 0.0183 0.1065 0.1348
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0048 0.0177 0.056
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0048 0.0177 0.0871
Toxoplasma gondii PHD-finger domain-containing protein 0.0149 0.0844 0.4293
Echinococcus granulosus thioredoxin glutathione reductase 0.014 0.0781 0.0775
Brugia malayi Pre-SET motif family protein 0.0419 0.2623 0.2619
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.006 0.0272
Schistosoma mansoni amine GPCR 0.0203 0.1197 0.1197
Brugia malayi Doublecortin family protein 0.0484 0.3051 0.3046
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0048 0.0177 0.0873
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0186 0.0186
Brugia malayi jmjC domain containing protein 0.0489 0.3088 0.3083
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0318 0.1958 0.1953
Plasmodium falciparum JmjC domain-containing protein, putative 0.0048 0.0177 0.0559
Mycobacterium tuberculosis Conserved hypothetical protein 0.0318 0.1958 0.1814
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0318 0.1958 0.1953
Leishmania major importin beta-1 subunit, putative 0.0025 0.0022 0.0077
Schistosoma mansoni hypothetical protein 0.0176 0.1022 0.1022
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.0177 0.0873
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0268 0.0262
Mycobacterium tuberculosis Probable dehydrogenase 0.0318 0.1955 0.1811
Schistosoma mansoni phosphatidylserine receptor 0.0048 0.0177 0.0177
Schistosoma mansoni jumonji domain containing protein 0.0389 0.2424 0.2424
Schistosoma mansoni loxhd1 0.0484 0.3051 0.3051
Echinococcus multilocularis JmjC domain containing protein 4 0.0048 0.0177 0.017
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0318 0.1958 0.1953
Brugia malayi Bromodomain containing protein 0.004 0.0121 0.0115
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0318 0.1958 1
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0049 0.0181 0.0892
Echinococcus multilocularis purine nucleoside phosphorylase 0.1537 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0231 0.0231
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0794 0.5095 0.5091
Toxoplasma gondii Purine nucleoside phosphorylase 0.0318 0.1958 1
Entamoeba histolytica hypothetical protein 0.0025 0.0022 0.0077
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.006 0.0272
Loa Loa (eye worm) hypothetical protein 0.0484 0.3051 0.3862
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0177 0.0873
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0048 0.0177 0.056
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0049 0.0181 0.0892
Treponema pallidum uridine phosphorylase (udp) 0.0318 0.1958 1
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0186 0.018
Echinococcus granulosus microtubule associated protein 2 0.0675 0.4314 0.4311
Leishmania major methylthioadenosine phosphorylase, putative 0.0318 0.1958 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0489 0.3088 0.3083
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0048 0.0177 0.0873
Schistosoma mansoni methylthioadenosine phosphorylase 0.0318 0.1958 0.1958
Schistosoma mansoni ran 0.0022 0.0006 0.0006
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0318 0.1958 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0048 0.0177 0.0873
Schistosoma mansoni uridine phosphorylase 0.0318 0.1958 0.1958
Onchocerca volvulus 0.0477 0.3006 0.2873
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0318 0.1958 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.0177 0.0873
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0318 0.1955 0.1811
Toxoplasma gondii phosphorylase family protein 0.0318 0.1958 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1219 0.79 0.7899
Echinococcus granulosus phd:f box containing protein 0.0048 0.0177 0.017
Brugia malayi MH2 domain containing protein 0.0121 0.0656 0.065
Loa Loa (eye worm) glutathione reductase 0.0139 0.0778 0.0984
Onchocerca volvulus Alhambra homolog 0.0149 0.0844 0.0671
Plasmodium falciparum glutathione reductase 0.0048 0.0177 0.056
Plasmodium falciparum thioredoxin reductase 0.0139 0.0778 0.2533
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0318 0.1958 0.1953
Mycobacterium ulcerans purine nucleoside phosphorylase 0.1537 1 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0318 0.1958 1
Trypanosoma cruzi trypanothione reductase, putative 0.0139 0.0778 0.3951
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0022 0.0015
Schistosoma mansoni hypothetical protein 0.0149 0.0844 0.0844
Plasmodium vivax glutathione reductase, putative 0.0139 0.0778 0.2533
Mycobacterium tuberculosis Probable oxidoreductase 0.0353 0.219 0.2049
Loa Loa (eye worm) PHD-finger family protein 0.0149 0.0844 0.1069
Echinococcus granulosus arachidonate 5 lipoxygenase 0.1483 0.9645 0.9645
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0186 0.018
Echinococcus granulosus purine nucleoside phosphorylase 0.1537 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1219 0.79 0.7899
Loa Loa (eye worm) hypothetical protein 0.0078 0.0372 0.0471
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0318 0.1958 0.2479
Giardia lamblia PHD finger protein 15 0.0149 0.0844 0.0838
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0035 0.0092 0.0086
Brugia malayi RNA, U transporter 1 0.0087 0.0431 0.0425
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.1537 1 1
Schistosoma mansoni importin beta-1 0.0031 0.006 0.006
Plasmodium vivax SET domain protein, putative 0.006 0.0255 0.0816
Echinococcus multilocularis Polycystic kidney disease protein 0.0484 0.3051 0.3046
Echinococcus granulosus jumonji domain containing protein 0.0208 0.1231 0.1225
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0078 0.0372 0.0372
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.005 0.019 0.0183
Schistosoma mansoni hypothetical protein 0.0326 0.2009 0.2009
Echinococcus multilocularis purine nucleoside phosphorylase 0.1537 1 1
Echinococcus multilocularis importin subunit beta 1 0.0031 0.006 0.0053
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0318 0.1958 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0318 0.1958 0.1953
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0318 0.1958 0.1953
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.0177 0.0873
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0048 0.0177 0.0873
Echinococcus multilocularis lysine specific demethylase 5A 0.0181 0.1052 0.1046
Echinococcus granulosus PHD finger protein rhinoceros 0.0149 0.0844 0.0838
Schistosoma mansoni microtubule-associated protein tau 0.0675 0.4314 0.4314
Toxoplasma gondii phosphorylase family protein 0.0318 0.1958 1
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0318 0.1958 1
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0318 0.1958 1
Schistosoma mansoni purine nucleoside phosphorylase 0.1537 1 1
Brugia malayi Bromodomain containing protein 0.0078 0.0374 0.0367
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0048 0.0177 0.017
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0231 0.0225
Toxoplasma gondii PHD-finger domain-containing protein 0.0049 0.0181 0.0892
Loa Loa (eye worm) jmjC domain-containing protein 0.0048 0.0177 0.0223
Plasmodium falciparum thioredoxin reductase 0.0048 0.0177 0.056
Mycobacterium leprae probable uridine phosphorylase 0.0318 0.1958 0.0004
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0656 0.0831
Chlamydia trachomatis AMP nucleosidase 0.0318 0.1958 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0035 0.0092 0.0086
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0048 0.0177 0.017
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.0177 0.0873
Echinococcus multilocularis jumonji domain containing protein 0.0208 0.1231 0.1225
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0318 0.1955 0.1811
Plasmodium vivax JmjC domain containing protein 0.0048 0.0177 0.0559
Echinococcus multilocularis purine nucleoside phosphorylase 0.1537 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0255 0.0255
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0022 0.0015
Echinococcus granulosus JmjC domain containing protein 4 0.0048 0.0177 0.017
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0048 0.0177 0.0873
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.006 0.0272
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.1537 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0048 0.0177 0.0873
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.005 0.019 0.0183
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0105 0.0099
Schistosoma mansoni protein phosphatase 2C 0.0048 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.1219 0.79 1
Toxoplasma gondii thioredoxin reductase 0.0139 0.0778 0.3951
Brugia malayi Thioredoxin reductase 0.0139 0.0778 0.0772
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0318 0.1958 0.6412
Plasmodium vivax thioredoxin reductase, putative 0.0139 0.0778 0.2533
Schistosoma mansoni lipoxygenase 0.0612 0.3899 0.3899
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0048 0.0177 0.0871
Treponema pallidum pfs protein (pfs) 0.0318 0.1958 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0048 0.0177 0.0223
Echinococcus multilocularis thioredoxin glutathione reductase 0.014 0.0781 0.0775
Brugia malayi uridine phosphorylase family protein 0.0318 0.1958 0.1953
Echinococcus granulosus snurportin 1 0.0326 0.2009 0.2004
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0419 0.2623 0.3321
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0048 0.0177 0.0873

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.3 uM Compound was tested for H2 receptor antagonistic activity against histamine stimulated chronotropic response in isolated guinea pig right atrium ChEMBL. 7904648
Inhibition (functional) = 66 % H2 receptor antagonistic activity against histamine stimulated chronotropic response in isolated guinea pig right atrium at 1x10E-6 g/mL. ChEMBL. 7904648

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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