Detailed information for compound 1033658

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.869 | Formula: C19H26ClNO
  • H donors: 1 H acceptors: 0 LogP: 5.27 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNCCCCOc1ccccc1Cc1ccccc1.Cl
  • InChi: 1S/C19H25NO.ClH/c1-2-20-14-8-9-15-21-19-13-7-6-12-18(19)16-17-10-4-3-5-11-17;/h3-7,10-13,20H,2,8-9,14-16H2,1H3;1H
  • InChiKey: FMNMHIUGFCAYTA-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 Ataxin 2 N terminaldomain containing protein 0.0025 0.0182 0.0181
Brugia malayi beta-lactamase 0.0043 0.0394 0.1099
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1822 0.5857
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0074 0.0072
Leishmania major hypothetical protein, conserved 0.0055 0.0537 0.0397
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0537 0.0397
Loa Loa (eye worm) hypothetical protein 0.0015 0.0074 0.0202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0958 0.0891
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0537 1
Onchocerca volvulus 0.0043 0.0394 0.0966
Schistosoma mansoni cpg binding protein 0.003 0.0241 0.0169
Loa Loa (eye worm) hypothetical protein 0.0049 0.0462 0.1286
Echinococcus multilocularis cpg binding protein 0.0031 0.0261 0.0259
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.1839 0.4004
Echinococcus multilocularis geminin 0.0863 1 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.0615 0.0613
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2832 1
Onchocerca volvulus 0.0147 0.1616 0.8697
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2832 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1822 0.5857
Toxoplasma gondii hypothetical protein 0.0057 0.0557 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0615 0.0545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0958 0.0957
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0251 0.2832 0.7905
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0551 0.9658
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2832 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0958 0.0957
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.0598 0.0567
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0074 0.0072
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0615 0.1716
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0615 0.0545
Loa Loa (eye worm) RNA binding protein 0.0062 0.0615 0.1713
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0351 0.4005 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0074 0.0206
Brugia malayi CXXC zinc finger family protein 0.003 0.0241 0.0673
Echinococcus granulosus GPCR family 2 0.0015 0.0074 0.0072
Mycobacterium tuberculosis Conserved hypothetical protein 0.0185 0.2059 0.6186
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0958 0.0891
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0394 0.1096
Brugia malayi Protein kinase domain containing protein 0.0315 0.3582 1
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1925 0.6282
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2832 1
Brugia malayi beta-lactamase family protein 0.0043 0.0394 0.1099
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0251 0.2832 0.7906
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0472 0.0217
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0958 0.0891
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.1839 0.4004
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0472 0.0217
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0615 0.1713
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0958 0.0957
Schistosoma mansoni hypothetical protein 0.0863 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1822 0.5857
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2832 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0394 0.1099
Onchocerca volvulus 0.0043 0.0394 0.0966
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0958 0.2671
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1822 0.5857
Leishmania major mitochondrial DNA polymerase beta 0.0351 0.4005 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0394 0.0392
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0615 0.0545
Brugia malayi beta-lactamase family protein 0.0043 0.0394 0.1099
Schistosoma mansoni serine/threonine protein kinase 0.032 0.3642 0.3595
Schistosoma mansoni hypothetical protein 0.0025 0.0182 0.011
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0273 0.3086 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0615 0.0545
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0808 0.9361 0.9361
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0351 0.4005 1
Schistosoma mansoni hypothetical protein 0.0863 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0241 0.0669
Loa Loa (eye worm) hypothetical protein 0.0043 0.0394 0.1096
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0394 0.5
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.0315 0.3582 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0472 0.0217
Brugia malayi TAR-binding protein 0.0062 0.0615 0.1716
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1822 0.5857
Loa Loa (eye worm) hypothetical protein 0.0033 0.0282 0.0785
Loa Loa (eye worm) hypothetical protein 0.0043 0.0394 0.1096
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0074 0.0206
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0394 0.0322
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0315 0.3582 0.3581
Mycobacterium ulcerans hypothetical protein 0.0185 0.2059 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0537 0.5
Brugia malayi RNA binding protein 0.0062 0.0615 0.1716
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0282 0.0788
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0074 0.0072
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1822 0.5857
Schistosoma mansoni hypothetical protein 0.0033 0.0282 0.021
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0537 0.8782
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.1925 0.6282
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0472 0.0217
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0615 0.0545
Schistosoma mansoni cpg binding protein 0.0031 0.0261 0.0188
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0182 0.0181
Loa Loa (eye worm) hypothetical protein 0.0315 0.3582 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0074 0.0072
Onchocerca volvulus 0.0043 0.0394 0.0966
Loa Loa (eye worm) hypothetical protein 0.0315 0.3582 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0074 0.0072
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0394 0.0322
Brugia malayi hypothetical protein 0.0147 0.1616 0.451
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0462 0.1286
Echinococcus granulosus cpg binding protein 0.0031 0.0261 0.0259
Mycobacterium leprae Probable lipase LipE 0.0043 0.0394 0.5
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.1822 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0462 0.129
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0615 0.1713
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0537 0.0397
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0958 0.0957
Loa Loa (eye worm) hypothetical protein 0.0043 0.0394 0.1096
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0351 0.4005 1
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.2832 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0394 0.0392
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.063 0.056
Loa Loa (eye worm) hypothetical protein 0.0043 0.0394 0.1096
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0462 0.129
Loa Loa (eye worm) beta-lactamase 0.0043 0.0394 0.1096
Loa Loa (eye worm) hypothetical protein 0.0147 0.1616 0.4508
Loa Loa (eye worm) hypothetical protein 0.0055 0.0537 0.1496
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0074 0.0202
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0537 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0537 0.0397
Loa Loa (eye worm) hypothetical protein 0.0043 0.0394 0.1096
Loa Loa (eye worm) hypothetical protein 0.0043 0.0394 0.1096
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1822 0.5857
Schistosoma mansoni cpg binding protein 0.0031 0.0261 0.0188
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0958 0.2674
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0315 0.3582 0.3581
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0166 0.1839 0.4004
Brugia malayi hypothetical protein 0.0035 0.0309 0.0863
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0615 0.0613
Brugia malayi hypothetical protein 0.0055 0.0537 0.1499

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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