Detailed information for compound 1612940

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.592 | Formula: C29H34N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.84 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCN(CC1)c1cccc(c1)C)COc1ccccc1C(=O)CCc1ccccc1
  • InChi: 1S/C29H34N2O3/c1-23-8-7-11-25(20-23)31-18-16-30(17-19-31)21-26(32)22-34-29-13-6-5-12-27(29)28(33)15-14-24-9-3-2-4-10-24/h2-13,20,26,32H,14-19,21-22H2,1H3
  • InChiKey: COCJNKPOERMYEE-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 granulosus mitogen activated protein kinase 0.0058 0.0436 0.0436
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.0436 0.0436
Brugia malayi hypothetical protein 0.0029 0.0112 0.0246
Trypanosoma brucei protein kinase, putative 0.0058 0.0436 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0094 1
Onchocerca volvulus 0.0057 0.0418 0.2606
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0094 0.0205
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.1053 0.1863
Brugia malayi hypothetical protein 0.0435 0.457 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0112 1
Onchocerca volvulus Huntingtin homolog 0.014 0.1337 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0113 0.1034 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0094 0.0166
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.0436 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0436 1
Brugia malayi CHE-14 protein 0.0048 0.0327 0.0715
Brugia malayi MAP kinase sur-1 0.0058 0.0436 0.0955
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.0436 0.0193
Loa Loa (eye worm) hypothetical protein 0.0027 0.0094 0.0166
Echinococcus multilocularis protein dispatched 1 0.0055 0.0402 0.0158
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0436 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0094 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0094 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0094 1
Brugia malayi hypothetical protein 0.014 0.1337 0.2925
Echinococcus granulosus Protein patched homolog 1 0.0048 0.0327 0.0183
Schistosoma mansoni hypothetical protein 0.0047 0.0308 0.0138
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.0327 0.0081
Entamoeba histolytica hypothetical protein 0.0041 0.0248 0.1641
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0094 0.0205
Brugia malayi hypothetical protein 0.0041 0.0248 0.0543
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.0327 0.0678
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.0436 1
Onchocerca volvulus Huntingtin homolog 0.014 0.1337 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0094 1
Schistosoma mansoni hypothetical protein 0.0047 0.0308 0.0138
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0112 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0094 0.0205
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0094 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.1034 0.0806
Giardia lamblia Kinase, CMGC MAPK 0.0058 0.0436 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0112 0.0207
Loa Loa (eye worm) hypothetical protein 0.0435 0.457 1
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.0327 0.0183
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.0436 1
Echinococcus granulosus calcium release activated calcium channel 0.0435 0.457 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0094 0.5
Echinococcus multilocularis protein patched 0.0048 0.0327 0.0081
Schistosoma mansoni Protein orai-1 0.0435 0.457 1
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.0436 0.0193
Mycobacterium ulcerans hypothetical protein 0.0027 0.0094 1
Echinococcus granulosus tumor protein p63 0.0387 0.4047 0.879
Schistosoma mansoni patched 1 0.0048 0.0327 0.0183
Echinococcus multilocularis expressed conserved protein 0.0106 0.0959 0.0729
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0418 0.0392
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.0436 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0327 0.0678
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0018 0.139
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0112 1
Echinococcus multilocularis calcium release activated calcium channel 0.0435 0.457 0.4432
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0094 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0161 0.1566 0.1351
Echinococcus granulosus Niemann Pick C1 protein 0.0161 0.1566 0.3049
Brugia malayi Niemann-Pick C1 protein precursor 0.0113 0.1034 0.2263
Loa Loa (eye worm) hypothetical protein 0.0057 0.0418 0.0878
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.0436 0.0919
Loa Loa (eye worm) hypothetical protein 0.0059 0.0447 0.0941
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0094 1
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.1034 0.1819
Loa Loa (eye worm) hypothetical protein 0.0027 0.0094 0.0166
Entamoeba histolytica hypothetical protein 0.0041 0.0248 0.1641
Leishmania major hypothetical protein, conserved 0.0029 0.0112 0.055
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0094 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1034 0.2232
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0436 1
Schistosoma mansoni hypothetical protein 0.0047 0.0308 0.0138
Loa Loa (eye worm) hypothetical protein 0.014 0.1337 0.2897
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.0436 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.0436 1
Entamoeba histolytica hypothetical protein 0.0041 0.0248 0.1641
Echinococcus multilocularis tumor protein p63 0.0387 0.4047 0.3896
Echinococcus granulosus expressed conserved protein 0.0106 0.0959 0.1645
Loa Loa (eye worm) hypothetical protein 0.014 0.1337 0.2897
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0094 1
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0436 0.0436
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0018 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0436 1
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.0436 1
Schistosoma mansoni Protein orai-1 0.0435 0.457 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.0436 1
Schistosoma mansoni hypothetical protein 0.0047 0.0308 0.0138
Entamoeba histolytica hypothetical protein 0.0041 0.0248 0.1641

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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