Detailed information for compound 1168969

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 423.508 | Formula: C23H29N5O3
  • H donors: 1 H acceptors: 3 LogP: 3.46 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2nc(nc(c2cc1OC)N)N(CCCCN(C(=O)c1ccccc1)C)C
  • InChi: 1S/C23H29N5O3/c1-27(22(29)16-10-6-5-7-11-16)12-8-9-13-28(2)23-25-18-15-20(31-4)19(30-3)14-17(18)21(24)26-23/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3,(H2,24,25,26)
  • InChiKey: TWFAVJYUYNKCEY-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
Onchocerca volvulus 0.0037 0.086 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.086 0.187
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.086 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.003 0.0065
Echinococcus granulosus zinc finger protein 0.0021 0.0124 0.0364
Brugia malayi MH2 domain containing protein 0.0118 0.46 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.3401 1
Schistosoma mansoni zinc finger protein 0.0021 0.0124 0.0364
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0926 0.2721
Toxoplasma gondii ABC1 family protein 0.0037 0.086 0.5
Brugia malayi Bromodomain containing protein 0.008 0.2841 0.5827
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.2091 0.6148
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.086 0.2528
Plasmodium vivax hypothetical protein, conserved 0.0037 0.086 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0269 0.0791
Onchocerca volvulus 0.0037 0.086 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.086 0.5
Mycobacterium ulcerans lipase LipD 0.0037 0.086 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.3401 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.1255 0.2728
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.3401 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.086 0.187
Loa Loa (eye worm) hypothetical protein 0.0037 0.086 0.187
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.2091 0.6148
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.086 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0176 0.0382
Brugia malayi beta-lactamase family protein 0.0037 0.086 0.1126
Schistosoma mansoni bromodomain containing protein 0.0067 0.2267 0.6664
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.46 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.086 0.2528
Loa Loa (eye worm) hypothetical protein 0.0075 0.2631 0.5721
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.3401 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.086 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.086 0.5
Leishmania major hypothetical protein, conserved 0.0037 0.086 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0926 0.2721
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.086 0.187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.3401 1
Brugia malayi Bromodomain containing protein 0.0041 0.1042 0.1558
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.3401 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.086 0.187
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.46 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1161 0.2525
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.086 0.5
Mycobacterium ulcerans beta-lactamase 0.0037 0.086 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.086 0.2528
Brugia malayi beta-lactamase 0.0037 0.086 0.1126
Trichomonas vaginalis esterase, putative 0.0037 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.086 0.187
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0269 0.0791
Loa Loa (eye worm) beta-lactamase 0.0037 0.086 0.187
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.086 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1045 0.2272
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0269 0.0791
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.086 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.3401 0.7157
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.086 0.2528
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.086 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.086 0.1126
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.3401 0.7395
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.3401 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.086 0.187
Brugia malayi beta-lactamase family protein 0.0037 0.086 0.1126
Echinococcus multilocularis zinc finger protein 0.0021 0.0124 0.0364
Schistosoma mansoni hypothetical protein 0.0022 0.0176 0.0516
Onchocerca volvulus 0.0037 0.086 0.5
Mycobacterium leprae conserved hypothetical protein 0.0037 0.086 0.5

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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