Detailed information for compound 626047

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.407 | Formula: C21H19N5O4
  • H donors: 3 H acceptors: 6 LogP: 2.91 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1O)c1nc(C(=O)N)c2c(n1)n(c1cccc(c1)C)c(n2)O
  • InChi: 1S/C21H19N5O4/c1-3-30-14-9-5-8-13(17(14)27)19-23-15(18(22)28)16-20(25-19)26(21(29)24-16)12-7-4-6-11(2)10-12/h4-10,27H,3H2,1-2H3,(H2,22,28)(H,24,29)
  • InChiKey: GLQIFUKRFSSYKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0035 0.0053 0.0053
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0053 0.0095
Loa Loa (eye worm) hypothetical protein 0.0196 0.48 0.48
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.185 0.1986
Schistosoma mansoni carbonic anhydrase-related 0.0084 0.1498 0.1608
Echinococcus granulosus acetylcholinesterase 0.0196 0.48 0.5154
Loa Loa (eye worm) hypothetical protein 0.0035 0.0053 0.0053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.185 0.1986
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0084 0.1498 0.1498
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0179 0.429 0.429
Brugia malayi hypothetical protein 0.0169 0.3989 0.3989
Brugia malayi hypothetical protein 0.0036 0.0076 0.0076
Plasmodium falciparum carbonic anhydrase 0.0084 0.1498 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0053 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0053 0.0053
Echinococcus granulosus carbonic anhydrase 0.0084 0.1498 0.1608
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.185 0.1986
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.1425 0.153
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0053 0.0057
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0099 0.1922 0.2063
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0084 0.1498 0.1498
Brugia malayi Calcitonin receptor-like protein seb-1 0.0312 0.8183 0.8183
Schistosoma mansoni hypothetical protein 0.0084 0.1498 0.1608
Echinococcus multilocularis acetylcholinesterase 0.0196 0.48 0.5154
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0053 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0053 0.0095
Loa Loa (eye worm) hypothetical protein 0.0035 0.0053 0.0053
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0179 0.429 0.429
Loa Loa (eye worm) hypothetical protein 0.0035 0.0053 0.0053
Schistosoma mansoni hypothetical protein 0.0099 0.1922 0.2063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.185 0.1986
Schistosoma mansoni carbonic anhydrase-related 0.0084 0.1498 0.1608
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0179 0.429 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0099 0.1922 0.1922
Echinococcus granulosus carbonic anhydrase 0.0084 0.1498 0.1608
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0099 0.1922 0.2063
Echinococcus granulosus carbonic anhydrase II 0.0179 0.429 0.4606
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0179 0.429 0.4606
Echinococcus granulosus geminin 0.035 0.9314 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0312 0.8183 0.8183
Echinococcus multilocularis carbonic anhydrase 0.0084 0.1498 0.1608
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0654 0.1418
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.185 0.1986
Echinococcus granulosus tar DNA binding protein 0.0261 0.6698 0.7191
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0084 0.1498 0.1498
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0053 0.0057
Brugia malayi TAR-binding protein 0.0261 0.6698 0.6698
Mycobacterium ulcerans lipase LipD 0.0035 0.0053 1
Loa Loa (eye worm) hypothetical protein 0.012 0.2562 0.2562
Echinococcus granulosus acetylcholinesterase 0.0196 0.48 0.5154
Brugia malayi Latrophilin receptor protein 2 0.0099 0.1922 0.1922
Loa Loa (eye worm) hypothetical protein 0.0312 0.8183 0.8183
Schistosoma mansoni hypothetical protein 0.0099 0.1922 0.2063
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.5597 1
Brugia malayi follicle stimulating hormone receptor 0.025 0.6388 0.6388
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0179 0.429 0.429
Mycobacterium ulcerans beta-lactamase 0.0035 0.0053 1
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0654 0.4157
Echinococcus multilocularis carbonic anhydrase II 0.0179 0.429 0.4606
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0053 1
Echinococcus granulosus GPCR family 2 0.0099 0.1922 0.2063
Loa Loa (eye worm) carbonic anhydrase 3 0.0179 0.429 0.429
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0053 0.0057
Brugia malayi RNA binding protein 0.0261 0.6698 0.6698
Schistosoma mansoni carbonic anhydrase 0.0084 0.1498 0.1608
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0053 0.0095
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6698 0.7191
Echinococcus multilocularis carbonic anhydrase 0.0084 0.1498 0.1608
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.185 0.185
Onchocerca volvulus 0.0169 0.3989 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0312 0.8183 0.8183
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0261 0.6698 0.6698
Onchocerca volvulus Huntingtin homolog 0.012 0.2562 0.6423
Loa Loa (eye worm) MH2 domain-containing protein 0.0373 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0053 1
Echinococcus multilocularis carbonic anhydrase 0.0084 0.1498 0.1608
Trypanosoma brucei carbonic anhydrase-like protein 0.0179 0.429 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0053 0.5
Leishmania major carbonic anhydrase-like protein 0.0179 0.429 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0084 0.1498 0.1498
Brugia malayi hypothetical protein 0.0055 0.0654 0.0654
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0053 0.0095
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0053 0.0057
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.1425 0.153
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0053 0.0095
Loa Loa (eye worm) transcription factor SMAD2 0.0373 1 1
Leishmania major hypothetical protein, conserved 0.0055 0.0654 0.1418
Echinococcus multilocularis tar DNA binding protein 0.0261 0.6698 0.7191
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0196 0.48 0.5154
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.1425 0.1425
Loa Loa (eye worm) hypothetical protein 0.0055 0.0654 0.0654
Echinococcus multilocularis carboxylesterase 5A 0.0196 0.48 0.5154
Mycobacterium tuberculosis Conserved protein 0.0035 0.0053 0.0095
Loa Loa (eye worm) hypothetical protein 0.0196 0.48 0.48
Brugia malayi beta-lactamase 0.0035 0.0053 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6698 0.7191
Onchocerca volvulus 0.0082 0.1425 0.3572
Trichomonas vaginalis esterase, putative 0.0035 0.0053 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0654 0.1418
Mycobacterium tuberculosis Conserved protein 0.0035 0.0053 0.0095
Mycobacterium tuberculosis Conserved protein 0.0035 0.0053 0.0095
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0053 0.0095
Schistosoma mansoni hypothetical protein 0.0099 0.1922 0.2063
Echinococcus multilocularis GPCR, family 2 0.0099 0.1922 0.2063
Onchocerca volvulus Huntingtin homolog 0.012 0.2562 0.6423
Loa Loa (eye worm) hypothetical protein 0.0084 0.1498 0.1498
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0099 0.1922 0.2063
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0084 0.1498 0.1498
Loa Loa (eye worm) hypothetical protein 0.0213 0.5285 0.5285
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0654 0.1418
Loa Loa (eye worm) acetylcholinesterase 1 0.0196 0.48 0.48
Echinococcus granulosus carboxylesterase 5A 0.0196 0.48 0.5154
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0053 1
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6698 0.7191
Loa Loa (eye worm) hypothetical protein 0.0169 0.3989 0.3989
Toxoplasma gondii hypothetical protein 0.0084 0.1498 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0084 0.1498 0.1498
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0053 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0099 0.1922 0.1922
Schistosoma mansoni hypothetical protein 0.035 0.9314 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0053 0.0095
Loa Loa (eye worm) hypothetical protein 0.0099 0.1922 0.1922
Echinococcus multilocularis acetylcholinesterase 0.0196 0.48 0.5154
Onchocerca volvulus 0.0035 0.0053 0.0133
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0053 0.0053
Brugia malayi RNA recognition motif domain containing protein 0.0261 0.6698 0.6698
Brugia malayi Carboxylesterase family protein 0.0196 0.48 0.48
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6698 0.7191
Schistosoma mansoni hypothetical protein 0.035 0.9314 1
Brugia malayi Carboxylesterase family protein 0.0196 0.48 0.48
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.1425 0.153
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.185 0.1986
Onchocerca volvulus 0.0035 0.0053 0.0133
Brugia malayi hypothetical protein 0.012 0.2562 0.2562
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.185 0.1986
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.185 0.185
Loa Loa (eye worm) hypothetical protein 0.012 0.2562 0.2562
Schistosoma mansoni hypothetical protein 0.0213 0.5285 0.5674
Brugia malayi beta-lactamase family protein 0.0035 0.0053 0.0053
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0654 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0053 1
Onchocerca volvulus 0.0035 0.0053 0.0133
Loa Loa (eye worm) hypothetical protein 0.0084 0.1498 0.1498
Loa Loa (eye worm) hypothetical protein 0.0082 0.1425 0.1425
Schistosoma mansoni carbonic anhydrase-related 0.0084 0.1498 0.1608
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0053 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0053 1
Loa Loa (eye worm) carboxylesterase 0.0196 0.48 0.48
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0053 0.0053
Loa Loa (eye worm) RNA binding protein 0.0261 0.6698 0.6698
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.6388 0.6388
Schistosoma mansoni hypothetical protein 0.0099 0.1922 0.2063
Echinococcus granulosus carbonic anhydrase 0.0084 0.1498 0.1608
Brugia malayi beta-lactamase family protein 0.0035 0.0053 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0261 0.6698 0.7191
Brugia malayi latrophilin 2 splice variant baaae 0.0213 0.5285 0.5285
Loa Loa (eye worm) hypothetical protein 0.0035 0.0053 0.0053
Loa Loa (eye worm) TAR-binding protein 0.0261 0.6698 0.6698
Loa Loa (eye worm) hypothetical protein 0.0035 0.0053 0.0053
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0099 0.1922 0.2063
Loa Loa (eye worm) hypothetical protein 0.0084 0.1498 0.1498
Echinococcus multilocularis geminin 0.035 0.9314 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0179 0.429 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0179 0.429 0.4606

Activities

No activities found for this compound.

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

No literature references available for this target.

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