Detailed information for compound 423186

Basic information

Technical information
  • TDR Targets ID: 423186
  • Name: 1-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin -7-yl)amino]propan-2-ol
  • MW: 360.412 | Formula: C20H20N6O
  • H donors: 2 H acceptors: 5 LogP: 3.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CNc1nc(nc2c1nnn2Cc1ccccc1)c1ccccc1)O
  • InChi: 1S/C20H20N6O/c1-14(27)12-21-19-17-20(23-18(22-19)16-10-6-3-7-11-16)26(25-24-17)13-15-8-4-2-5-9-15/h2-11,14,27H,12-13H2,1H3,(H,21,22,23)
  • InChiKey: XWTIFODTRQWBGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3-benzyl-5-phenyl-triazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol
  • 1-[(3-benzyl-5-phenyl-7-triazolo[4,5-d]pyrimidinyl)amino]-2-propanol
  • 1-[[5-phenyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]amino]propan-2-ol
  • 1-[[5-phenyl-3-(phenylmethyl)triazolo[4,5-e]pyrimidin-7-yl]amino]propan-2-ol
  • 1-[[5-phenyl-3-(phenylmethyl)-7-triazolo[4,5-e]pyrimidinyl]amino]propan-2-ol
  • 1-[[3-(benzyl)-5-phenyl-triazolo[4,5-e]pyrimidin-7-yl]amino]propan-2-ol
  • 1-[[5-phenyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-e]pyrimidin-7-yl]amino]propan-2-ol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus 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
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 301 aa 25.6 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 314 aa 21.7 %
Schistosoma mansoni opsin-like receptor Adenosine A1 receptor   326 aa 312 aa 22.1 %
Echinococcus granulosus allatostatin A receptor Adenosine A1 receptor   326 aa 304 aa 25.3 %
Echinococcus multilocularis allatostatin A receptor Adenosine A1 receptor   326 aa 306 aa 26.1 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 331 aa 25.7 %
Schistosoma mansoni opsin-like receptor Adenosine A1 receptor   326 aa 315 aa 23.8 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.3 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 307 aa 21.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A1 receptor   326 aa 318 aa 22.3 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 312 aa 24.0 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 277 aa 23.8 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 326 aa 20.2 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 296 aa 22.6 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 311 aa 21.9 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 311 aa 21.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0231 0.223 0.3513
Leishmania major importin beta-1 subunit, putative 0.0047 0.0307 0.3081
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0939 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0977 1 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0042 0.0262 0.0335
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0089 0.0752 0.0661
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0939 0.0916
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0042 0.0262 0.0416
Loa Loa (eye worm) hypothetical protein 0.0107 0.0939 0.1456
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Entamoeba histolytica hypothetical protein 0.0036 0.0197 0.3533
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0025 0.0000017956
Mycobacterium ulcerans esterase/lipase LipP 0.0107 0.0939 0.0916
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0622 0.6303 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0231 0.223 0.3117
Mycobacterium tuberculosis Probable esterase LipL 0.0107 0.0939 0.0916
Loa Loa (eye worm) hypothetical protein 0.0066 0.0512 0.0775
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.1385 0.2197
Brugia malayi RNA, U transporter 1 0.0163 0.1521 0.2413
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0066 0.0512 0.0488
Onchocerca volvulus 0.0049 0.0329 0.0424
Trichomonas vaginalis hypothetical protein 0.0977 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0098 0.0116
Schistosoma mansoni hypothetical protein 0.0047 0.0317 0.0412
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0066 0.0512 0.0488
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0098 0.0794
Loa Loa (eye worm) hypothetical protein 0.0019 0.0025 0.0000020239
Entamoeba histolytica hypothetical protein 0.0036 0.0197 0.3533
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0042 0.0262 0.0377
Mycobacterium tuberculosis Probable oxidoreductase 0.0066 0.0512 0.0488
Mycobacterium leprae conserved hypothetical protein 0.0107 0.0939 0.0451
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0098 0.0073
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Mycobacterium ulcerans oxidoreductase 0.0066 0.0512 0.0488
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0025 0.0000017956
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0317 0.0356
Echinococcus multilocularis microtubule associated protein 2 0.0699 0.71 0.8627
Echinococcus granulosus GPCR family 2 0.0047 0.0317 0.0412
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0066 0.0512 0.0812
Echinococcus multilocularis beta LACTamase domain containing family member 0.0107 0.0939 0.1115
Trypanosoma brucei oxidoreductase-like protein 0.0066 0.0512 0.5323
Mycobacterium ulcerans lipase LipD 0.0107 0.0939 0.0916
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0025 0.0000020239
Mycobacterium tuberculosis Probable hydrolase 0.0107 0.0939 0.0916
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0231 0.223 0.2689
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0098 0.0794
Loa Loa (eye worm) hypothetical protein 0.0089 0.0752 0.1158
Brugia malayi Doublecortin family protein 0.0019 0.0025 0.004
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0482 0.0646
Echinococcus granulosus histone lysine methyltransferase setb 0.0089 0.0752 0.1027
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Trypanosoma brucei hypothetical protein, conserved 0.0107 0.0939 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0752 0.1027
Leishmania major hypothetical protein, conserved 0.0107 0.0939 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0317 0.0412
Schistosoma mansoni ran 0.0042 0.0262 0.0335
Brugia malayi hypothetical protein 0.0019 0.0025 0.004
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1065 0.1657
Loa Loa (eye worm) hypothetical protein 0.0107 0.0939 0.1456
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0977 1 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0482 0.0646
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0482 0.0646
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0939 0.0916
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0231 0.223 0.3117
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Brugia malayi beta-lactamase 0.0107 0.0939 0.149
Brugia malayi hypothetical protein 0.0238 0.2306 0.3658
Brugia malayi hypothetical protein 0.0036 0.0197 0.0312
Echinococcus granulosus importin subunit beta 1 0.0057 0.042 0.0558
Trichomonas vaginalis esterase, putative 0.0107 0.0939 0.0916
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0025 0.004
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0066 0.0512 0.5323
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0939 0.0916
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0089 0.0752 0.0886
Echinococcus granulosus snurportin 1 0.0612 0.6199 0.8725
Entamoeba histolytica Ran family GTPase 0.0042 0.0262 0.4869
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0066 0.0512 0.0688
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0066 0.0512 0.0418
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0107 0.0939 0.0916
Echinococcus multilocularis GPCR, family 2 0.0047 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0047 0.0317 0.0465
Onchocerca volvulus 0.0089 0.0752 0.1013
Schistosoma mansoni lipoxygenase 0.0054 0.039 0.0515
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0482 0.0765
Loa Loa (eye worm) hypothetical protein 0.015 0.1385 0.2166
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0066 0.0512 0.0488
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0231 0.223 0.3117
Schistosoma mansoni hypothetical protein 0.0166 0.1554 0.2161
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0939 0.0916
Trypanosoma brucei pteridine reductase 1 0.0066 0.0512 0.5323
Echinococcus multilocularis importin subunit beta 1 0.0057 0.042 0.0481
Trichomonas vaginalis importin beta-1, putative 0.0047 0.0307 0.0282
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0066 0.0512 0.5323
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0262 0.2592
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.039 0.0445
Plasmodium vivax importin-beta 2, putative 0.0057 0.042 0.0396
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0066 0.0512 0.5323
Echinococcus multilocularis snurportin 1 0.0612 0.6199 0.7527
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0042 0.0262 0.0238
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0098 0.0794
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0977 1 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0025 0.0000015491
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0066 0.0512 0.0488
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0317 0.0465
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0107 0.0939 0.1456
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0107 0.0939 0.0916
Schistosoma mansoni hypothetical protein 0.0166 0.1554 0.2161
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.0512 0.0488
Onchocerca volvulus 0.0107 0.0939 0.1274
Onchocerca volvulus 0.0066 0.0512 0.0678
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0482 0.0728
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0042 0.0262 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0042 0.0262 0.2592
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0042 0.0262 0.0289
Leishmania major hypothetical protein, conserved 0.0026 0.0098 0.0794
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0107 0.0939 0.149
Schistosoma mansoni microtubule-associated protein tau 0.0699 0.71 1
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0066 0.0512 0.0488
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0307 0.0282
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0231 0.223 0.3117
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0939 0.1292
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.089 0.1413
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0107 0.0939 0.0916
Onchocerca volvulus 0.0107 0.0939 0.1274
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0025 0.0000015491
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0197 0.0243
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0482 0.0646
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0612 0.6199 0.9834
Loa Loa (eye worm) hypothetical protein 0.0107 0.0939 0.1456
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.0512 0.0488
Schistosoma mansoni importin beta-1 0.0057 0.042 0.0558
Echinococcus granulosus dna polymerase kappa 0.0019 0.0025 0.0000017956
Loa Loa (eye worm) hypothetical protein 0.0107 0.0939 0.1456
Loa Loa (eye worm) hypothetical protein 0.0107 0.0939 0.1456
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0231 0.223 0.3539
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.0512 0.0488
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Mycobacterium tuberculosis Probable lipase LipE 0.0107 0.0939 0.0916
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.1385 0.2197
Loa Loa (eye worm) retinol dehydrogenase 12 0.0066 0.0512 0.0775
Brugia malayi beta-lactamase family protein 0.0107 0.0939 0.149
Entamoeba histolytica hypothetical protein 0.0036 0.0197 0.3533
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0231 0.223 0.2689
Schistosoma mansoni hypothetical protein 0.0036 0.0197 0.0243
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0752 0.1027
Schistosoma mansoni hypothetical protein 0.0612 0.6199 0.8725
Leishmania major oxidoreductase-like protein 0.0066 0.0512 0.5323
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0939 1
Brugia malayi RNA binding protein 0.0063 0.0482 0.0765
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0066 0.0512 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0098 0.0073
Mycobacterium tuberculosis Possible oxidoreductase 0.0066 0.0512 0.0488
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0066 0.0512 0.0812
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0066 0.0512 0.5323
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0086 0.0718 0.0979
Brugia malayi TAR-binding protein 0.0063 0.0482 0.0765
Brugia malayi MH2 domain containing protein 0.0119 0.1065 0.169
Schistosoma mansoni ran 0.0042 0.0262 0.0335
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Mycobacterium tuberculosis Probable lipase LipD 0.0107 0.0939 0.0916
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0317 0.0356
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0317 0.0502
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0317 0.0412
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0047 0.0307 0.0282
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0939 0.0916
Schistosoma mansoni DNA polymerase eta 0.0019 0.0025 0.0000017956
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0066 0.0512 0.5323
Toxoplasma gondii HEAT repeat-containing protein 0.0057 0.042 0.0325
Brugia malayi hypothetical protein 0.0026 0.0098 0.0155
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0197 0.021
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0025 0.0000017956
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.1385 0.2166
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0066 0.0512 0.0488
Brugia malayi beta-lactamase family protein 0.0107 0.0939 0.149
Mycobacterium leprae Probable lipase LipE 0.0107 0.0939 0.0451
Brugia malayi Pre-SET motif family protein 0.0089 0.0752 0.1193
Leishmania major pteridine reductase 1 0.0066 0.0512 0.5323
Loa Loa (eye worm) hypothetical protein 0.0238 0.2306 0.3633
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0107 0.0939 0.0916
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0066 0.0512 0.0775
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0066 0.0512 0.0488
Loa Loa (eye worm) hypothetical protein 0.0057 0.042 0.0629
Onchocerca volvulus 0.0708 0.7198 1
Echinococcus granulosus geminin 0.0166 0.1554 0.2161
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0066 0.0512 0.0488
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0939 0.1292
Mycobacterium tuberculosis Conserved protein 0.0107 0.0939 0.0916
Toxoplasma gondii ABC1 family protein 0.0107 0.0939 0.085
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0025 0.004
Plasmodium falciparum importin beta, putative 0.0057 0.042 0.0396
Plasmodium falciparum enoyl-acyl carrier reductase 0.0977 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Mycobacterium tuberculosis Conserved protein 0.0107 0.0939 0.0916
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0482 0.0646
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0042 0.0262 0.0166
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0482 0.0728
Echinococcus multilocularis geminin 0.0166 0.1554 0.1864
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0066 0.0512 0.0688
Onchocerca volvulus 0.0107 0.0939 0.1274
Plasmodium vivax SET domain protein, putative 0.0089 0.0752 0.0729
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0977 1 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0066 0.0512 0.0418
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.2306 0.2781
Echinococcus granulosus dna polymerase eta 0.0019 0.0025 0.0000017956
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0066 0.0512 0.0593
Schistosoma mansoni hypothetical protein 0.0047 0.0317 0.0412
Schistosoma mansoni hypothetical protein 0.0047 0.0317 0.0412
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0066 0.0512 0.5323
Schistosoma mansoni hypothetical protein 0.0047 0.0317 0.0412
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0752 0.1027
Schistosoma mansoni dihydropteridine reductase 0.0066 0.0512 0.0688
Schistosoma mansoni survival motor neuron protein 0.0049 0.0329 0.043
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.039 0.0515
Trypanosoma cruzi importin beta-1 subunit, putative 0.0047 0.0307 0.3081
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.042 0.4317
Echinococcus granulosus microtubule associated protein 2 0.0699 0.71 1
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.2306 0.3224
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0098 0.0073
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0807 0.8226 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0685 0.6957 0.695
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0939 0.0916
Mycobacterium ulcerans beta-lactamase 0.0107 0.0939 0.0916
Onchocerca volvulus 0.0066 0.0512 0.0678
Mycobacterium ulcerans hypothetical protein 0.0107 0.0939 0.0916
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0089 0.0752 0.0886
Loa Loa (eye worm) hypothetical protein 0.0103 0.089 0.1378
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Loa Loa (eye worm) oxidoreductase 0.0066 0.0512 0.0775
Brugia malayi Importin beta-1 subunit 0.0057 0.042 0.0666
Loa Loa (eye worm) hypothetical protein 0.0107 0.0939 0.1456
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.0512 0.0488
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0977 1 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0066 0.0512 0.0488
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0025 0.0000015491
Loa Loa (eye worm) RNA binding protein 0.0063 0.0482 0.0728
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0262 0.2592
Schistosoma mansoni hypothetical protein 0.0103 0.089 0.1223
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0231 0.223 0.3117
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.042 0.4317
Entamoeba histolytica hypothetical protein 0.0036 0.0197 0.3533
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0066 0.0512 0.0418
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0977 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Schistosoma mansoni hypothetical protein 0.0049 0.0329 0.043
Trichomonas vaginalis ran, putative 0.0042 0.0262 0.0238
Loa Loa (eye worm) beta-lactamase 0.0107 0.0939 0.1456
Leishmania major GTP-binding protein, putative 0.0042 0.0262 0.2592
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1065 0.1657
Brugia malayi hypothetical protein 0.0019 0.0025 0.004
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0066 0.0512 0.5323
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0066 0.0512 0.0488
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0482 0.0646
Trichomonas vaginalis set domain proteins, putative 0.0708 0.7198 0.7191
Entamoeba histolytica hypothetical protein 0.0047 0.0307 0.5789
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0197 0.0243
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0317 0.0502
Echinococcus granulosus beta LACTamase domain containing family member 0.0107 0.0939 0.1292
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0482 0.0557
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0329 0.0522
Brugia malayi Pre-SET motif family protein 0.0622 0.6303 1
Mycobacterium ulcerans short chain dehydrogenase 0.0066 0.0512 0.0488
Mycobacterium tuberculosis Conserved protein 0.0107 0.0939 0.0916
Mycobacterium tuberculosis Possible oxidoreductase 0.0066 0.0512 0.0488
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0042 0.0262 0.0238
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0089 0.0752 0.1027
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0512 0.0488

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 50 % Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells at 1 uM ChEMBL. 17028066
Inhibition (binding) < 50 % Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells at 1 uM ChEMBL. 17028066
Inhibition (binding) < 50 % Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells at 1 uM ChEMBL. 17028066
Inhibition (binding) < 50 % Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells at 1 uM ChEMBL. 17028066
Ki (binding) = 2.1249 Binding affinity to bovine adenosine A1 receptor ChEMBL. 17418915
Ki (binding) = 7.5 nM Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor ChEMBL. 17028066
Ki (binding) = 7.5 nM Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor ChEMBL. 17028066

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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