Detailed information for compound 1022728

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.946 | Formula: C25H26ClN3O2
  • H donors: 2 H acceptors: 1 LogP: 4.16 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1CN1CCNCC1)c1ccc(cc1)NC(=O)c1ccc(cc1)Cl
  • InChi: 1S/C25H26ClN3O2/c1-31-24-11-6-20(16-21(24)17-29-14-12-27-13-15-29)18-4-9-23(10-5-18)28-25(30)19-2-7-22(26)8-3-19/h2-11,16,27H,12-15,17H2,1H3,(H,28,30)
  • InChiKey: HDKTUCIQKHRMLF-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 atpase aaa+ type core atpase aaa type core 0.1617 0.805 0.805
Echinococcus granulosus jun protein 0.0635 0.3113 0.3113
Echinococcus granulosus geminin 0.0172 0.0786 0.0786
Echinococcus granulosus microtubule associated protein 2 0.0674 0.331 0.331
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0218 0.5
Onchocerca volvulus 0.0047 0.0156 0.0573
Loa Loa (eye worm) bZIP transcription factor family protein 0.002 0.0019 0.0062
Onchocerca volvulus 0.0497 0.2418 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0635 0.3113 0.3113
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0832 0.1027
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0263 0.124 0.4114
Brugia malayi cyclic AMP-response element binding protein 1 gamma 1, putative 0.0231 0.1082 0.3476
Schistosoma mansoni microtubule-associated protein tau 0.0674 0.331 1
Schistosoma mansoni netrin receptor unc5 0.0204 0.0946 0.2859
Brugia malayi Death domain containing protein 0.0204 0.0946 0.3039
Echinococcus multilocularis cyclic AMP dependent transcription factor ATF 6 0.002 0.0019 0.0019
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.002 0.0019 0.0019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0218 0.5
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0204 0.0946 0.0946
Echinococcus granulosus cyclic AMP dependent transcription factor ATF 6 0.002 0.0019 0.0019
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0174 0.0578
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0218 1
Brugia malayi bZIP transcription factor family protein 0.002 0.0019 0.006
Echinococcus multilocularis Ankyrin 0.0205 0.0951 0.0951
Echinococcus multilocularis cAMP responsive element binding protein 3 0.002 0.0019 0.0019
Schistosoma mansoni ankyrin 23/unc44 0.0204 0.0946 0.2859
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.1081 0.1081
Echinococcus multilocularis microtubule associated protein 2 0.0674 0.331 0.331
Schistosoma mansoni camp-response element binding protein-related 0.002 0.0019 0.0056
Brugia malayi Protein kinase domain containing protein 0.0204 0.0946 0.3039
Schistosoma mansoni hypothetical protein 0.0035 0.0093 0.0282
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.124 1
Echinococcus granulosus cyclic AMP responsive element binding protein 0.002 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0047 0.0156 0.0472
Onchocerca volvulus Netrin receptor homolog 0.0204 0.0946 0.3866
Echinococcus granulosus cyclic AMP responsive element binding protein 0.002 0.0019 0.0019
Echinococcus granulosus netrin receptor unc 5 0.0204 0.0946 0.0946
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.1081 0.1081
Echinococcus multilocularis jun protein 0.0635 0.3113 0.3113
Echinococcus multilocularis cyclic AMP responsive element binding protein 0.002 0.0019 0.0019
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.124 1
Schistosoma mansoni fos transcription factor-related 0.002 0.0019 0.0056
Loa Loa (eye worm) bZIP transcription factor family protein 0.002 0.0019 0.0062
Loa Loa (eye worm) hypothetical protein 0.002 0.0019 0.0062
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.0832 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.124 1
Brugia malayi bZIP transcription factor family protein 0.0635 0.3113 1
Brugia malayi bZIP transcription factor family protein 0.002 0.0019 0.006
Loa Loa (eye worm) hypothetical protein 0.0231 0.1082 0.3591
Schistosoma mansoni camp-response element binding protein 0.002 0.0019 0.0056
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.0786 0.3197
Brugia malayi bZIP transcription factor family protein 0.002 0.0019 0.006
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0205 0.0951 0.2873
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0204 0.0946 0.314
Schistosoma mansoni hypothetical protein 0.0172 0.0786 0.2374
Schistosoma mansoni survival motor neuron protein 0.0047 0.0156 0.0472
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0635 0.3113 0.3113
Echinococcus multilocularis fos transcription factor 0.002 0.0019 0.0019
Schistosoma mansoni jun-related protein 0.0517 0.2517 0.7605
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0218 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0218 0.0218
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0218 0.5
Schistosoma mansoni camp-response element binding protein-related 0.002 0.0019 0.0056
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0204 0.0946 0.0946
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0218 0.0218
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0218 0.0657
Echinococcus granulosus expressed protein 0.002 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0615 0.3014 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0263 0.124 0.3982
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0174 0.0559
Brugia malayi Uncoordinated protein 44 0.0204 0.0946 0.3039
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.124 1
Echinococcus multilocularis netrin receptor unc 5 0.0204 0.0946 0.0946
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0218 0.0657
Echinococcus multilocularis nuclear factor of activated T cells 5 0.2005 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0204 0.0946 0.2859
Brugia malayi bZIP transcription factor family protein 0.002 0.0019 0.006
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0174 0.0559
Echinococcus multilocularis geminin 0.0172 0.0786 0.0786
Echinococcus granulosus death domain containing protein 0.0204 0.0946 0.0946
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.124 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0204 0.0946 0.3039
Echinococcus multilocularis expressed protein 0.002 0.0019 0.0019
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.124 1
Brugia malayi hypothetical protein 0.0231 0.1081 0.3473
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0 0.5
Onchocerca volvulus 0.0231 0.1082 0.4433
Echinococcus granulosus fos transcription factor 0.002 0.0019 0.0019
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0156 0.0502
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0204 0.0946 0.314
Schistosoma mansoni camp-response element binding protein-related 0.002 0.0019 0.0056
Loa Loa (eye worm) hypothetical protein 0.0035 0.0093 0.031
Schistosoma mansoni hypothetical protein 0.0172 0.0786 0.2374
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0093 0.03
Loa Loa (eye worm) hypothetical protein 0.0051 0.0174 0.0578
Echinococcus granulosus Ankyrin 0.0205 0.0951 0.0951
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0231 0.1081 0.3587
Brugia malayi hypothetical protein 0.0497 0.2418 0.7766
Loa Loa (eye worm) hypothetical protein 0.002 0.0019 0.0062
Echinococcus granulosus cAMP responsive element binding protein 3 0.002 0.0019 0.0019
Brugia malayi hypothetical protein 0.002 0.0019 0.006
Loa Loa (eye worm) bZIP transcription factor family protein 0.002 0.0019 0.0062
Schistosoma mansoni hypothetical protein 0.002 0.0019 0.0056
Schistosoma mansoni hypothetical protein 0.0517 0.2517 0.7605
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.002 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0205 0.0951 0.3155
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0218 1

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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