Detailed information for compound 1027483

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.381 | Formula: C18H23NO2
  • H donors: 2 H acceptors: 1 LogP: 3.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1ccc(c2O)CNC1CCCCC1
  • InChi: 1S/C18H23NO2/c1-21-17-9-5-8-16-15(17)11-10-13(18(16)20)12-19-14-6-3-2-4-7-14/h5,8-11,14,19-20H,2-4,6-7,12H2,1H3
  • InChiKey: AYOCTYCQKSYZGJ-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
Schistosoma mansoni glutaminase 0.0309 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1752 0.1161
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0154 0.4713 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.08 0.1554
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.1151 0.1191
Loa Loa (eye worm) glutaminase 0.0309 1 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1151 0.0382
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.009 0.251 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1752 0.1686
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.1752 0.6564
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0154 0.4713 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.08 0.2249
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0154 0.4713 0.4671
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0154 0.4713 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.2597 0.2366
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.251 0.2276
Brugia malayi CAAX amino terminal protease family protein 0.009 0.251 0.251
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.251 0.4553
Onchocerca volvulus 0.0092 0.2597 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1151 0.0382
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.1151 0.2312
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1752 0.1686
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.009 0.251 0.1973
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.08 0.0726
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0154 0.4713 1
Giardia lamblia Kinase, CMGC MAPK 0.005 0.1151 0.2052
Loa Loa (eye worm) hypothetical protein 0.009 0.251 0.2276
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.1151 0.384
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0154 0.4713 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0154 0.4713 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.3496 0.3293
Brugia malayi Probable ClpP-like protease 0.0154 0.4713 0.4713
Loa Loa (eye worm) glutaminase 2 0.0309 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0053 0.1262 0.2551
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.1752 0.2678
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.1151 0.384
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.1752 0.3609
Toxoplasma gondii hypothetical protein 0.0053 0.1262 0.2551
Brugia malayi MH2 domain containing protein 0.0119 0.3496 0.3496
Entamoeba histolytica hypothetical protein 0.0036 0.0669 0.2424
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.1151 0.0874
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1752 0.1161
Echinococcus granulosus peptidase Clp S14 family 0.0101 0.2899 0.5514
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.1151 0.384
Brugia malayi hypothetical protein 0.0025 0.0303 0.0303
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.08 0.0324
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0053 0.1262 0.2551
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0101 0.2899 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0101 0.2899 0.5514
Schistosoma mansoni ap endonuclease 0.004 0.08 0.014
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.08 0.0324
Echinococcus multilocularis CAAX prenyl protease 2 0.009 0.251 0.4553
Loa Loa (eye worm) hypothetical protein 0.0092 0.2597 0.2366
Schistosoma mansoni ap endonuclease 0.004 0.08 0.014
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0101 0.2899 0.4744
Echinococcus granulosus CAAX prenyl protease 2 0.009 0.251 0.4553
Schistosoma mansoni serine/threonine protein kinase 0.005 0.1151 0.0516
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0303 0.0483
Schistosoma mansoni peptidase Clp (S14 family) 0.0154 0.4713 0.4334
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.251 0.251
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.08 0.0512
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0303 0.0483
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.009 0.251 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.1752 0.5931
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0092 0.2597 0.2067
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.1151 0.384
Entamoeba histolytica hypothetical protein 0.0036 0.0669 0.2424
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.1151 0.384
Toxoplasma gondii exonuclease III APE 0.004 0.08 0.1554
Entamoeba histolytica CAAX prenyl protease family 0.009 0.251 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.1752 0.2678
Brugia malayi MAP kinase sur-1 0.005 0.1151 0.1151
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.08 0.08
Trichomonas vaginalis glutaminase, putative 0.0309 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.251 0.1974
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.251 0.1974
Echinococcus granulosus mitogen activated protein kinase 0.005 0.1151 0.1191
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1151 0.0382
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0303 0.0483
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.08 0.1554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.251 0.4553
Giardia lamblia Hypothetical protein 0.009 0.251 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.1151 0.384
Entamoeba histolytica hypothetical protein 0.0036 0.0669 0.2424
Trypanosoma brucei CAAX amino terminal protease, putative 0.009 0.251 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0303 0.0483
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.1151 0.1191
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0053 0.1262 0.2551
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0101 0.2899 1
Brugia malayi hypothetical protein 0.0036 0.0669 0.0669
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.009 0.251 0.1973
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0154 0.4713 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.1151 0.1191
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0154 0.4713 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0092 0.2597 0.2067
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.08 0.2962
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.1151 0.384
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.08 0.2249
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0154 0.4713 0.4671
Loa Loa (eye worm) hypothetical protein 0.0154 0.4713 0.4548
Entamoeba histolytica hypothetical protein 0.0036 0.0669 0.2424
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.251 0.4553
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.3496 0.3293
Trypanosoma brucei protein kinase, putative 0.005 0.1151 0.384
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0154 0.4713 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.08 0.2249
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.009 0.251 0.1859
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.08 0.2554
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1752 0.1686
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.251 0.4553
Mycobacterium ulcerans glutaminase 0.0309 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.08 0.2249
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.251 0.1974
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.08 0.1554
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1151 0.0382
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0154 0.4713 1
Brugia malayi Trypsin family protein 0.0092 0.2597 0.2597
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.009 0.251 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0154 0.4713 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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