Detailed information for compound 2070585

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.401 | Formula: C16H25N5O3
  • H donors: 1 H acceptors: 4 LogP: 0.75 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(C)nc(n1)N1CCN(CC1)C(=O)C(NC(=O)C)C
  • InChi: 1S/C16H25N5O3/c1-5-24-14-10-11(2)17-16(19-14)21-8-6-20(7-9-21)15(23)12(3)18-13(4)22/h10,12H,5-9H2,1-4H3,(H,18,22)
  • InChiKey: QCJUKSBOWJPSEB-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
Echinococcus multilocularis tar DNA binding protein 0.005 0.1134 0.1195
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.003 0.0257 0.0192
Schistosoma mansoni hypothetical protein 0.004 0.0705 0.0716
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0834 0.0592
Echinococcus granulosus hormone sensitive lipase 0.0172 0.6509 0.8514
Schistosoma mansoni tar DNA-binding protein 0.005 0.1134 0.1403
Echinococcus multilocularis chromobox protein 1 0.0061 0.1613 0.1846
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0252 1 1
Brugia malayi RNA recognition motif domain containing protein 0.005 0.1134 0.1195
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0119 0.4174 0.402
Onchocerca volvulus 0.003 0.0257 0.2427
Loa Loa (eye worm) hypothetical protein 0.0197 0.7599 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0073 0.2139 0.2563
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.005 0.1134 0.1364
Loa Loa (eye worm) hypothetical protein 0.003 0.0257 0.0192
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0037 0.0551 0.7401
Echinococcus granulosus tar DNA binding protein 0.005 0.1134 0.1195
Brugia malayi hypothetical protein 0.0197 0.7599 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.004 0.0705 0.061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0073 0.2139 0.301
Echinococcus granulosus survival motor neuron protein 1 0.0197 0.7599 1
Trichomonas vaginalis penicillin-binding protein, putative 0.003 0.0257 0.1332
Echinococcus granulosus chromobox protein 1 0.0061 0.1613 0.1846
Loa Loa (eye worm) hypothetical protein 0.003 0.0257 0.0192
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0035 0.0494 0.0243
Loa Loa (eye worm) hypothetical protein 0.003 0.0257 0.0192
Onchocerca volvulus 0.003 0.0257 0.2427
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0134 0.4814 0.6206
Trichomonas vaginalis chromobox protein, putative 0.0061 0.1613 0.8346
Schistosoma mansoni tar DNA-binding protein 0.005 0.1134 0.1403
Schistosoma mansoni chromobox protein 0.0061 0.1613 0.2168
Loa Loa (eye worm) hypothetical protein 0.003 0.0257 0.0192
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0172 0.6509 1
Brugia malayi chromobox protein homolog 3 0.0034 0.0438 0.0246
Mycobacterium tuberculosis Conserved hypothetical protein 0.0133 0.4765 0.6343
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0035 0.0494 0.0243
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0438 0.2265
Loa Loa (eye worm) heterochromatin protein 1 0.0061 0.1613 0.2002
Entamoeba histolytica protein kinase, putative 0.0134 0.4814 0.5
Schistosoma mansoni lipoxygenase 0.004 0.0679 0.0674
Echinococcus multilocularis survival motor neuron protein 1 0.0197 0.7599 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.004 0.0679 0.0574
Brugia malayi Heterochromatin protein 1 0.0061 0.1613 0.1846
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0119 0.4174 0.402
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0073 0.2139 0.2563
Schistosoma mansoni tar DNA-binding protein 0.005 0.1134 0.1403
Schistosoma mansoni tar DNA-binding protein 0.005 0.1134 0.1403
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0035 0.0494 0.0243
Toxoplasma gondii hypothetical protein 0.0041 0.0723 1
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0134 0.4814 0.6206
Trichomonas vaginalis D-aminoacylase, putative 0.003 0.0257 0.1332
Trichomonas vaginalis chromobox protein, putative 0.0037 0.0551 0.2854
Schistosoma mansoni tar DNA-binding protein 0.005 0.1134 0.1403
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.1385 0.1698
Trichomonas vaginalis penicillin-binding protein, putative 0.003 0.0257 0.1332
Plasmodium vivax hypothetical protein, conserved 0.003 0.0257 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0035 0.0494 0.0243
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0073 0.2139 0.301
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0068 0.1932 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0438 0.0433
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1951 0.2709
Loa Loa (eye worm) hypothetical protein 0.003 0.0257 0.0192
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0192 0.7363 1
Mycobacterium ulcerans hypothetical protein 0.0133 0.4765 1
Brugia malayi TAR-binding protein 0.005 0.1134 0.1195
Trichomonas vaginalis chromobox protein, putative 0.0061 0.1613 0.8346
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0073 0.2139 0.2563
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0172 0.6509 1
Trichomonas vaginalis D-aminoacylase, putative 0.003 0.0257 0.1332
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.1932 1
Onchocerca volvulus 0.004 0.0705 1
Loa Loa (eye worm) RNA binding protein 0.005 0.1134 0.1364
Echinococcus multilocularis chromobox protein 1 0.0061 0.1613 0.1846
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0252 1 1
Loa Loa (eye worm) beta-lactamase 0.003 0.0257 0.0192
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0073 0.2139 0.2563
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0073 0.2139 0.2563
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0034 0.0438 0.5476
Echinococcus multilocularis hormone sensitive lipase 0.0172 0.6509 0.8514
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0172 0.6509 1
Entamoeba histolytica protein kinase, putative 0.0134 0.4814 0.5
Loa Loa (eye worm) hypothetical protein 0.0172 0.6509 0.8543
Trichomonas vaginalis chromobox protein, putative 0.0037 0.0551 0.2854
Trichomonas vaginalis esterase, putative 0.003 0.0257 0.1332
Loa Loa (eye worm) TAR-binding protein 0.005 0.1134 0.1364
Onchocerca volvulus 0.003 0.0257 0.2427
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0252 1 1
Echinococcus granulosus chromobox protein 1 0.0061 0.1613 0.1846
Loa Loa (eye worm) hypothetical protein 0.003 0.0257 0.0192
Schistosoma mansoni chromobox protein 0.0061 0.1613 0.2168
Trichomonas vaginalis D-aminoacylase, putative 0.003 0.0257 0.1332
Schistosoma mansoni survival motor neuron protein 0.004 0.0705 0.0716
Mycobacterium leprae conserved hypothetical protein 0.003 0.0257 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.004 0.0679 0.0574
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0438 0.2265
Brugia malayi RNA binding protein 0.005 0.1134 0.1195
Loa Loa (eye worm) IRE protein kinase 0.0134 0.4814 0.6278
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0073 0.2139 0.2705
Brugia malayi Ribonuclease 2-5A family protein 0.0134 0.4814 0.6206
Mycobacterium leprae Probable lipase LipE 0.003 0.0257 0.5
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0119 0.4174 0.402
Brugia malayi Cytochrome P450 family protein 0.0056 0.1385 0.1536
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0073 0.2139 0.301

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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