Detailed information for compound 163498

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.407 | Formula: C17H22N8O5
  • H donors: 5 H acceptors: 8 LogP: -1.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)c1cnn(c1)c1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
  • InChi: 1S/C17H22N8O5/c1-2-3-19-15(29)8-4-21-25(5-8)17-22-13(18)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,2-3,6H2,1H3,(H,19,29)(H2,18,22,23)/t9-,11-,12-,16-/m1/s1
  • InChiKey: SOZFXTLKGLGATP-UBEDBUPSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adenosine A2a receptor Starlite/ChEMBL References
Homo sapiens 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
Echinococcus granulosus allatostatin A receptor Adenosine A2a receptor   410 aa 368 aa 22.6 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Adenosine A2a receptor   410 aa 366 aa 25.4 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A2a receptor   410 aa 352 aa 23.6 %
Echinococcus multilocularis allatostatin A receptor Adenosine A2a receptor   410 aa 372 aa 22.8 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Adenosine A2a receptor   410 aa 340 aa 27.9 %
Schistosoma mansoni biogenic amine (5HT) receptor Adenosine A2a receptor   410 aa 399 aa 28.1 %
Onchocerca volvulus Adenosine A2a receptor   410 aa 337 aa 23.1 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A2a receptor   410 aa 342 aa 23.1 %
Brugia malayi follicle stimulating hormone receptor adenosine A2a receptor 412 aa 336 aa 22.3 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0497 0.0657
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0342 0.0431
Mycobacterium tuberculosis Probable lipase LipE 0.0148 0.1413 0.1387
Loa Loa (eye worm) hypothetical protein 0.0061 0.0475 0.0599
Brugia malayi TAR-binding protein 0.0063 0.0497 0.059
Trypanosoma brucei dynamin-1-like protein 0.0022 0.0052 0.0027
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0148 0.1413 0.1751
Trypanosoma brucei glucosidase, putative 0.0036 0.0206 0.0222
Leishmania major hypothetical protein, conserved 0.0148 0.1413 0.1751
Entamoeba histolytica hypothetical protein 0.0038 0.0233 0.3279
Brugia malayi RNA, U transporter 1 0.0173 0.1683 0.2092
Loa Loa (eye worm) hypothetical protein 0.0045 0.0309 0.039
Mycobacterium tuberculosis Probable lipase LipD 0.0148 0.1413 0.1387
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0206 0.0632
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0206 0.0632
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0497 0.0627
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0148 0.1413 0.1868
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0351 0.1153
Echinococcus granulosus dynamin 1 0.0023 0.007 0.0092
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.147 0.1854
Entamoeba histolytica hypothetical protein 0.0049 0.0351 0.5188
Schistosoma mansoni hypothetical protein 0.0038 0.0233 0.0308
Trypanosoma cruzi Emopamil binding protein, putative 0.0281 0.2848 0.3568
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0139 0.1317 0.1661
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.1561 0.2063
Schistosoma mansoni alpha-glucosidase 0.0139 0.1319 0.1743
Schistosoma mansoni survival motor neuron protein 0.0049 0.0347 0.0459
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0475 0.0562
Echinococcus multilocularis dynamin 1 protein 0.0022 0.0052 0.0069
Schistosoma mansoni alpha-glucosidase 0.0139 0.1319 0.1743
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0148 0.1413 0.1868
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0064 0.0042
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0206 0.0222
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0648 0.0782
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0038 0.0048
Schistosoma mansoni hypothetical protein 0.0048 0.0342 0.0452
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1317 0.174
Trichomonas vaginalis dynamin, putative 0.0022 0.0052 0.0076
Echinococcus granulosus zinc finger protein 0.0019 0.0027 0.0035
Loa Loa (eye worm) hypothetical protein 0.0153 0.147 0.1854
Leishmania major importin beta-1 subunit, putative 0.0049 0.0351 0.0406
Loa Loa (eye worm) hypothetical protein 0.0048 0.0342 0.0431
Entamoeba histolytica hypothetical protein 0.0038 0.0233 0.3279
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0064 0.0277
Loa Loa (eye worm) beta-lactamase 0.0148 0.1413 0.1783
Echinococcus multilocularis muscleblind protein 0.0315 0.3213 0.4246
Echinococcus granulosus snurportin 1 0.065 0.6812 0.9002
Mycobacterium ulcerans hypothetical protein 0.0148 0.1413 0.1494
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0031 0.0041
Leishmania major hypothetical protein, conserved 0.0281 0.2848 0.3568
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1317 0.174
Brugia malayi Dynamin 0.0023 0.007 0.0049
Mycobacterium tuberculosis Conserved protein 0.0148 0.1413 0.1387
Schistosoma mansoni hypothetical protein 0.065 0.6812 0.9002
Schistosoma mansoni DNA polymerase eta 0.0045 0.0309 0.0409
Trypanosoma cruzi importin beta-1 subunit, putative 0.0049 0.0351 0.0406
Brugia malayi Dynamin central region family protein 0.0022 0.0052 0.0027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1317 0.174
Schistosoma mansoni glutaminase 0.0278 0.2808 0.3711
Onchocerca volvulus 0.0052 0.0375 0.0112
Schistosoma mansoni hypothetical protein 0.0049 0.0347 0.0459
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.065 0.6812 0.8596
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0077 0.0648 0.2222
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0342 0.0452
Schistosoma mansoni bromodomain containing protein 0.0062 0.0488 0.0645
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0064 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0064 0.0042
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0648 0.0782
Echinococcus multilocularis snurportin 1 0.065 0.6812 0.9002
Schistosoma mansoni hypothetical protein 0.0048 0.0342 0.0452
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1317 0.174
Brugia malayi RNA binding protein 0.0063 0.0497 0.059
Brugia malayi Importin beta-1 subunit 0.0061 0.0475 0.0562
Echinococcus multilocularis dna polymerase kappa 0.002 0.0031 0.0041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1317 0.174
Loa Loa (eye worm) glutaminase 2 0.0278 0.2808 0.3543
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0077 0.0648 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0648 0.0782
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.1561 0.1939
Echinococcus multilocularis tumor protein p63 0.0352 0.3614 0.4775
Giardia lamblia Dynamin 0.0022 0.0052 0.6437
Echinococcus granulosus geminin 0.0353 0.3619 0.4782
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0199 0.0263
Echinococcus multilocularis microtubule associated protein 2 0.072 0.7568 1
Loa Loa (eye worm) hypothetical protein 0.004 0.025 0.0316
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0077 0.0648 0.0667
Brugia malayi beta-lactamase 0.0148 0.1413 0.1751
Trichomonas vaginalis dynamin, putative 0.0022 0.0052 0.0076
Loa Loa (eye worm) hypothetical protein 0.0315 0.3213 0.4054
Echinococcus multilocularis GPCR, family 2 0.0048 0.0342 0.0452
Echinococcus granulosus importin subunit beta 1 0.0061 0.0475 0.0628
Plasmodium falciparum importin beta, putative 0.0061 0.0475 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1561 0.2063
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0206 0.0632
Schistosoma mansoni hypothetical protein 0.0048 0.0342 0.0452
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0309 0.0353
Entamoeba histolytica hypothetical protein 0.0038 0.0233 0.3279
Loa Loa (eye worm) RNA binding protein 0.0063 0.0497 0.0627
Schistosoma mansoni hypothetical protein 0.0105 0.0948 0.1252
Loa Loa (eye worm) hypothetical protein 0.0052 0.0375 0.0473
Entamoeba histolytica hypothetical protein 0.0038 0.0233 0.3279
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0031 0.0041
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0031 0.0041
Trichomonas vaginalis dynamin, putative 0.0022 0.0052 0.0076
Trichomonas vaginalis mgm1, putative 0.0022 0.0052 0.0076
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0206 0.0632
Loa Loa (eye worm) hypothetical protein 0.0105 0.0948 0.1196
Trichomonas vaginalis D-aminoacylase, putative 0.0148 0.1413 0.4977
Trypanosoma cruzi hypothetical protein, conserved 0.0148 0.1413 0.1751
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0342 0.0452
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0064 0.0084
Mycobacterium ulcerans lipase LipD 0.0148 0.1413 0.1494
Trypanosoma cruzi hypothetical protein, conserved 0.0148 0.1413 0.1751
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0351 0.1153
Onchocerca volvulus 0.0148 0.1413 0.4264
Mycobacterium leprae Probable lipase LipE 0.0148 0.1413 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1317 0.174
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0206 0.0273
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0139 0.1317 0.1629
Echinococcus granulosus dna polymerase eta 0.0045 0.0309 0.0409
Trichomonas vaginalis penicillin-binding protein, putative 0.0148 0.1413 0.4977
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0031 0.0041
Brugia malayi follicle stimulating hormone receptor 0.0245 0.2454 0.307
Schistosoma mansoni hypothetical protein 0.002 0.0038 0.005
Schistosoma mansoni inositol monophosphatase 0.0077 0.0648 0.0856
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0206 0.2843
Echinococcus multilocularis dna polymerase eta 0.0045 0.0309 0.0409
Plasmodium vivax importin-beta 2, putative 0.0061 0.0475 0.3107
Trichomonas vaginalis inositol monophosphatase, putative 0.0077 0.0648 0.2222
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0164 0.0168
Onchocerca volvulus 0.0148 0.1413 0.4264
Echinococcus granulosus beta LACTamase domain containing family member 0.0148 0.1413 0.1868
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0206 0.0632
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0077 0.0648 0.4378
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0058 0.0077
Trypanosoma cruzi dynamin-1-like protein 0.0022 0.0052 0.0027
Loa Loa (eye worm) DRP-1 protein 0.0022 0.0052 0.0066
Echinococcus granulosus GPCR family 2 0.0048 0.0342 0.0452
Echinococcus multilocularis importin subunit beta 1 0.0061 0.0475 0.0628
Brugia malayi Inositol-1 0.0077 0.0648 0.0782
Echinococcus multilocularis inositol monophosphatase 1 0.0077 0.0648 0.0856
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0233 0.0308
Trichomonas vaginalis penicillin-binding protein, putative 0.0148 0.1413 0.4977
Echinococcus granulosus muscleblind protein 0.0315 0.3213 0.4246
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.2405 0.3178
Trichomonas vaginalis esterase, putative 0.0148 0.1413 0.4977
Trichomonas vaginalis dynamin, putative 0.0022 0.0052 0.0076
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0206 0.1134
Echinococcus multilocularis muscleblind protein 1 0.0315 0.3213 0.4246
Schistosoma mansoni dynamin 0.0022 0.0052 0.0069
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0206 0.0222
Mycobacterium tuberculosis Probable oxidoreductase 0.0879 0.9283 0.9281
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0475 0.0562
Trichomonas vaginalis ran, putative 0.0023 0.0064 0.0118
Trichomonas vaginalis dynamin, putative 0.0022 0.0052 0.0076
Brugia malayi glutaminase DH11.1 0.0278 0.2808 0.3518
Entamoeba histolytica Ran family GTPase 0.0023 0.0064 0.0532
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0497 0.0657
Brugia malayi beta-lactamase family protein 0.0148 0.1413 0.1751
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0148 0.1413 0.1387
Loa Loa (eye worm) hypothetical protein 0.0148 0.1413 0.1783
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0206 0.0632
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0342 0.0452
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.1561 0.197
Schistosoma mansoni alpha glucosidase 0.0036 0.0206 0.0273
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0753 0.7925 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0233 0.0308
Loa Loa (eye worm) hypothetical protein 0.0042 0.027 0.0341
Schistosoma mansoni hypothetical protein 0.0353 0.3619 0.4782
Leishmania major DNA polymerase eta, putative 0.0032 0.0164 0.0168
Mycobacterium tuberculosis Conserved protein 0.0148 0.1413 0.1387
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.147 0.1822
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1317 0.174
Brugia malayi Bromodomain containing protein 0.0074 0.0612 0.0736
Trypanosoma brucei dynamin-1-like protein 0.0022 0.0052 0.0027
Leishmania major GTP-binding protein, putative 0.0023 0.0064 0.0042
Trypanosoma brucei Emopamil binding protein, putative 0.0281 0.2848 0.3568
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0497 0.0657
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0342 0.0394
Loa Loa (eye worm) inositol-1 0.0077 0.0648 0.0818
Loa Loa (eye worm) hypothetical protein 0.0385 0.3963 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0058 0.0077
Mycobacterium ulcerans glutaminase 0.0278 0.2808 0.3002
Loa Loa (eye worm) hypothetical protein 0.0148 0.1413 0.1783
Schistosoma mansoni hypothetical protein 0.0048 0.0342 0.0452
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0069 0.0561 0.0532
Echinococcus multilocularis dynamin 1 0.0023 0.007 0.0092
Schistosoma mansoni inositol monophosphatase 0.0077 0.0648 0.0856
Trypanosoma brucei hypothetical protein, conserved 0.0148 0.1413 0.1751
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0342 0.0394
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0164 0.0822
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0064 0.0084
Brugia malayi hypothetical protein 0.0038 0.0233 0.0256
Echinococcus granulosus tar DNA binding protein 0.0063 0.0497 0.0657
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0497 0.059
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0148 0.1413 0.1387
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0077 0.0648 0.2222
Loa Loa (eye worm) hypothetical protein 0.0038 0.0225 0.0284
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0148 0.1413 0.1783
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0064 0.0086
Loa Loa (eye worm) hypothetical protein 0.0148 0.1413 0.1783
Mycobacterium ulcerans beta-lactamase 0.0148 0.1413 0.1494
Mycobacterium leprae conserved hypothetical protein 0.0148 0.1413 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1413 0.1783
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0206 0.0632
Onchocerca volvulus 0.0094 0.0827 0.1919
Echinococcus multilocularis beta LACTamase domain containing family member 0.0148 0.1413 0.1868
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0006 0.0008
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0309 0.0353
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0148 0.1413 0.1387
Loa Loa (eye worm) hypothetical protein 0.0315 0.3213 0.4054
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1561 0.2063
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0233 0.0308
Loa Loa (eye worm) hypothetical protein 0.0148 0.1413 0.1783
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0497 0.0657
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0497 0.0657
Mycobacterium tuberculosis Conserved protein 0.0148 0.1413 0.1387
Brugia malayi Dynamin 0.0023 0.007 0.0049
Mycobacterium ulcerans esterase/lipase LipP 0.0148 0.1413 0.1494
Schistosoma mansoni importin beta-1 0.0061 0.0475 0.0628
Brugia malayi PHD-finger family protein 0.0024 0.0083 0.0066
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.045 0.0595
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0281 0.2848 0.3568
Schistosoma mansoni dynamin 0.0023 0.007 0.0092
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0206 0.0273
Leishmania major DNA polymerase eta, putative 0.0045 0.0309 0.0353
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0309 0.0353
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0064 0.008
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0064 0.0042
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0206 0.0222
Schistosoma mansoni zinc finger protein 0.0019 0.0027 0.0035
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0031 0.0039
Echinococcus granulosus inositol monophosphatase 1 0.0077 0.0648 0.0856
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.0948 0.1161
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0347 0.0401
Echinococcus granulosus dynamin 1 protein 0.0022 0.0052 0.0069
Leishmania major GTP-binding protein, putative 0.0022 0.0052 0.0027
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0058 0.0077
Trichomonas vaginalis dynamin, putative 0.0022 0.0052 0.0076
Brugia malayi Bromodomain containing protein 0.0038 0.0224 0.0245
Mycobacterium tuberculosis Probable hydrolase 0.0148 0.1413 0.1387
Leishmania major C-8 sterol isomerase-like protein 0.0753 0.7925 1
Entamoeba histolytica dynamin-1-like protein, putative 0.0022 0.0052 0.0342
Mycobacterium ulcerans short chain dehydrogenase 0.0879 0.9283 1
Echinococcus granulosus microtubule associated protein 2 0.072 0.7568 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0064 0.0086
Echinococcus multilocularis geminin 0.0353 0.3619 0.4782
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.045 0.0595
Schistosoma mansoni microtubule-associated protein tau 0.072 0.7568 1
Schistosoma mansoni ran 0.0023 0.0064 0.0084
Loa Loa (eye worm) hypothetical protein 0.0148 0.1413 0.1783
Schistosoma mansoni ran 0.0023 0.0064 0.0084
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0077 0.0648 0.0782
Echinococcus granulosus dna polymerase kappa 0.002 0.0031 0.0041
Echinococcus multilocularis zinc finger protein 0.0019 0.0027 0.0035
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0206 0.0632
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0148 0.1413 0.1494
Trichomonas vaginalis glutaminase, putative 0.0278 0.2808 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0753 0.7925 1
Echinococcus granulosus survival motor neuron protein 1 0.024 0.2405 0.3178
Brugia malayi hypothetical protein 0.024 0.2405 0.3007
Brugia malayi Muscleblind-like protein 0.0315 0.3213 0.4031
Onchocerca volvulus 0.0281 0.2848 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0753 0.7925 1
Trypanosoma cruzi Emopamil binding protein, putative 0.0281 0.2848 0.3568
Toxoplasma gondii HEAT repeat-containing protein 0.0061 0.0475 0.3107
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0281 0.2848 0.3568
Trichomonas vaginalis importin beta-1, putative 0.0049 0.0351 0.1153
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0206 0.0222
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0342 0.0452
Mycobacterium tuberculosis Probable esterase LipL 0.0148 0.1413 0.1387
Schistosoma mansoni dynamin 0.0023 0.007 0.0092
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0206 0.2843
Loa Loa (eye worm) hypothetical protein 0.0023 0.007 0.0088
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0281 0.2848 0.3568
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative 0.0022 0.0052 0.0076
Brugia malayi beta-lactamase family protein 0.0148 0.1413 0.1751
Loa Loa (eye worm) hypothetical protein 0.0069 0.0567 0.0715
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0064 0.0042
Loa Loa (eye worm) hypothetical protein 0.0753 0.7925 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0199 0.0263
Entamoeba histolytica dynamin-like protein 0.0022 0.0052 0.0342
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.147 0.1822
Plasmodium vivax hypothetical protein, conserved 0.0148 0.1413 1
Toxoplasma gondii ABC1 family protein 0.0148 0.1413 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0077 0.0648 0.5
Schistosoma mansoni hypothetical protein 0.0353 0.3619 0.4782
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0206 0.0632
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0497 0.0657
Echinococcus multilocularis dynamin 0.0022 0.0052 0.0069
Loa Loa (eye worm) hypothetical protein 0.024 0.2405 0.3035
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0375 0.0496
Trichomonas vaginalis D-aminoacylase, putative 0.0148 0.1413 0.4977
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0206 0.026
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0245 0.2454 0.3097
Echinococcus granulosus tumor protein p63 0.0352 0.3614 0.4775
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0497 0.0627
Trichomonas vaginalis D-aminoacylase, putative 0.0148 0.1413 0.4977
Loa Loa (eye worm) glutaminase 0.0278 0.2808 0.3543
Echinococcus granulosus dynamin 0.0022 0.0052 0.0069
Onchocerca volvulus 0.0148 0.1413 0.4264

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.05 uM Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat ChEMBL. 12270178
Ki (binding) = 0.05 uM Receptor binding affinity for the adenosine A2A receptor was determined using [3H]-ZM-241,385 as a radioligand in rat ChEMBL. 12270178
Ki (binding) = 0.12 uM Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig ChEMBL. 12270178
Ki (binding) = 0.12 uM Receptor binding affinity for the adenosine A2A receptor were determined using [3H]-ZM-241,385 as a radioligand in pig ChEMBL. 12270178

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.