Detailed information for compound 1606384

Basic information

Technical information
  • TDR Targets ID: 1606384
  • Name: 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1 -ylmethoxy)aniline
  • MW: 260.375 | Formula: C16H24N2O
  • H donors: 1 H acceptors: 0 LogP: 2.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cccc(c1)OCC1CCCN2C1CCCC2
  • InChi: 1S/C16H24N2O/c17-14-6-3-7-15(11-14)19-12-13-5-4-10-18-9-2-1-8-16(13)18/h3,6-7,11,13,16H,1-2,4-5,8-10,12,17H2
  • InChiKey: HDXSSQBGRXLIOW-UHFFFAOYSA-N  

Network

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Synonyms

  • [3-(quinolizidin-1-ylmethoxy)phenyl]amine
  • NCI60_030792
  • AIDS-076834
  • AIDS076834
  • Benzenamine, 3-[(octahydro-2H-quinolizin-1-yl)methoxy]-
  • NSC685534
  • ST005079
  • Lupinine ether m-aminophenol
  • Lupinine m-aminophenol ether

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 hypothetical protein 0.0319 0.3438 0.3438
Onchocerca volvulus 0.0319 0.3438 0.3438
Mycobacterium ulcerans lipoprotein LppD 0.0037 0.0231 0.5
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Echinococcus granulosus zinc finger protein Ran binding 0.0319 0.3438 0.3438
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0319 0.3438 0.3438
Brugia malayi Appr-1-p processing enzyme family protein 0.0037 0.0231 0.0231
Entamoeba histolytica hypothetical protein, conserved 0.0037 0.0231 1
Onchocerca volvulus 0.0017 0.0005 0.0005
Leishmania major hypothetical protein, conserved 0.0319 0.3438 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0897 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0319 0.3438 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0319 0.3438 1
Entamoeba histolytica hypothetical protein, conserved 0.0037 0.0231 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.0319 0.3438 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0005 0.0005
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0319 0.3438 0.3438
Loa Loa (eye worm) brahma associated protein 0.0897 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Schistosoma mansoni brg-1 associated factor 0.0897 1 1
Leishmania major cathepsin L-like protease 0.0017 0.0005 0.0014
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0005 0.0014
Loa Loa (eye worm) hypothetical protein 0.0319 0.3438 0.3438
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Entamoeba histolytica hypothetical protein, conserved 0.0037 0.0231 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0897 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Schistosoma mansoni fusion 0.0319 0.3438 0.3438
Trypanosoma cruzi hypothetical protein, conserved 0.0319 0.3438 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0005 0.0005
Loa Loa (eye worm) ctsf protein 0.0017 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0017 0.0005 0.0005
Plasmodium falciparum Appr-1-p processing domain protein 0.0037 0.0231 0.0231
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0319 0.3438 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Onchocerca volvulus 0.0017 0.0005 0.0005
Echinococcus multilocularis cysteine protease 0.0017 0.0005 0.0005
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0319 0.3438 0.3438
Chlamydia trachomatis DNA topoisomerase I 0.0897 1 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0005 0.0014
Leishmania major cathepsin L-like protease 0.0017 0.0005 0.0014
Loa Loa (eye worm) hypothetical protein 0.0319 0.3438 0.3438
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0005 0.0005
Onchocerca volvulus 0.0319 0.3438 0.3438
Echinococcus granulosus ring and YY1 binding protein 0.0319 0.3438 0.3438
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Schistosoma mansoni hypothetical protein 0.0897 1 1
Loa Loa (eye worm) hypothetical protein 0.0319 0.3438 0.3438
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0005 0.0005
Trypanosoma brucei Macro domain containing protein, putative 0.0037 0.0231 0.0671
Toxoplasma gondii cathepsin CPL 0.0017 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Plasmodium vivax vivapain-2 0.0017 0.0005 0.0005
Brugia malayi YY1-associated factor 2 0.0319 0.3438 0.3438
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0005 0.0005
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0037 0.0231 0.0231
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0005 0.0005
Brugia malayi Cathepsin L-like precursor 0.0017 0.0005 0.0005
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0037 0.0231 0.0231
Leishmania major hypothetical protein, conserved 0.0319 0.3438 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Giardia lamblia Protein LRP16 0.0037 0.0231 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0897 1 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0319 0.3438 0.3438
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0319 0.3438 1
Loa Loa (eye worm) fibroinase 0.0017 0.0005 0.0005
Toxoplasma gondii ran binding protein 0.0319 0.3438 0.3438
Leishmania major cathepsin L-like protease 0.0017 0.0005 0.0014
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0037 0.0231 0.0231
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0005 0.0005
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0319 0.3438 0.3438
Onchocerca volvulus 0.0017 0.0005 0.0005
Echinococcus granulosus cathepsin l1 0.0017 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0319 0.3438 0.3438
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0005 0.0014
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0897 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0005 0.0005
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0897 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0897 1 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0005 0.0005
Echinococcus granulosus MACRO domain containing protein 2 0.0037 0.0231 0.0231
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0319 0.3438 0.3438
Trypanosoma cruzi Macro domain containing protein, putative 0.0037 0.0231 0.0671
Schistosoma mansoni RNA binding protein 0.0319 0.3438 0.3438
Leishmania major cathepsin L-like protease 0.0017 0.0005 0.0014
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0897 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0005 0.0005
Echinococcus multilocularis zinc finger protein Ran binding 0.0319 0.3438 0.3438
Brugia malayi Cathepsin L-like precursor 0.0017 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0319 0.3438 0.3438
Leishmania major cathepsin L-like protease 0.0017 0.0005 0.0014
Echinococcus multilocularis cysteine protease 0.0017 0.0005 0.0005
Leishmania major cathepsin L-like protease 0.0017 0.0005 0.0014
Trypanosoma brucei hypothetical protein, conserved 0.0319 0.3438 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Onchocerca volvulus 0.0017 0.0005 0.0005
Onchocerca volvulus 0.0319 0.3438 0.3438
Loa Loa (eye worm) cysteine protease 0.0017 0.0005 0.0005
Schistosoma mansoni TRABID protein (C64 family) 0.0319 0.3438 0.3438
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0319 0.3438 1
Onchocerca volvulus 0.0017 0.0005 0.0005
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0319 0.3438 0.3438
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Loa Loa (eye worm) hypothetical protein 0.0037 0.0231 0.0231
Schistosoma mansoni zinc finger protein 0.0319 0.3438 0.3438
Echinococcus multilocularis MACRO domain containing protein 2 0.0037 0.0231 0.0231
Echinococcus granulosus SWI:SNF matrix associated 0.0897 1 1
Leishmania major cathepsin L-like protease 0.0017 0.0005 0.0014
Onchocerca volvulus 0.0897 1 1
Echinococcus multilocularis MACRO domain containing protein 2 0.0037 0.0231 0.0231
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Echinococcus multilocularis ring and YY1 binding protein 0.0319 0.3438 0.3438
Mycobacterium tuberculosis Possible lipoprotein LppD 0.0037 0.0231 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0319 0.3438 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Echinococcus granulosus MACRO domain containing protein 2 0.0037 0.0231 0.0231
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Echinococcus granulosus Zinc finger RanBP2 type 0.0319 0.3438 0.3438
Onchocerca volvulus 0.0017 0.0005 0.0005
Echinococcus multilocularis SWI:SNF matrix associated 0.0897 1 1
Onchocerca volvulus 0.0319 0.3438 0.3438
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0897 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0231 0.0231
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0005 0.0213
Leishmania major hypothetical protein, conserved 0.0319 0.3438 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0897 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0005 0.0005
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0231 0.0231
Trypanosoma cruzi cruzipain precursor, putative 0.0017 0.0005 0.0014
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0897 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0005 0.0005
Plasmodium vivax vivapain-2 0.0017 0.0005 0.0005
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0005 0.0005
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0005 0.0005
Leishmania major hypothetical protein, conserved 0.0319 0.3438 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0005 0.0005
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0005 0.0005
Brugia malayi Cathepsin L-like precursor 0.0017 0.0005 0.0005
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0319 0.3438 1
Leishmania major cathepsin L-like protease 0.0017 0.0005 0.0014
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0005 0.0005
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0319 0.3438 0.3438
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Echinococcus multilocularis SWI:SNF matrix associated 0.0897 1 1
Brugia malayi brahma associated protein 60 kDa 0.0897 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0005 0.0005
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0319 0.3438 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0005 0.0005
Onchocerca volvulus 0.0017 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Toxoplasma gondii macro domain-containing protein 0.0037 0.0231 0.0231
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Trypanosoma brucei hypothetical protein, conserved 0.0319 0.3438 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0005 0.0005
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0005 0.0014
Schistosoma mansoni hypothetical protein 0.0037 0.0231 0.0231
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0897 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0005 0.0005
Plasmodium vivax hypothetical protein, conserved 0.0897 1 1
Entamoeba histolytica cysteine protease, putative 0.0017 0.0005 0.0213
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0005 0.0213
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Loa Loa (eye worm) hypothetical protein 0.0319 0.3438 0.3438
Leishmania major hypothetical protein, conserved 0.0319 0.3438 1
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0005 0.0014
Trypanosoma cruzi hypothetical protein, conserved 0.0319 0.3438 1
Schistosoma mansoni hypothetical protein 0.0897 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0005 0.0014
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0005 0.0005
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0319 0.3438 0.3438
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0005 0.0005
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0319 0.3438 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0897 1 1
Chlamydia trachomatis SWIB complex protein 0.0897 1 0.5
Trypanosoma cruzi Macro domain containing protein, putative 0.0037 0.0231 0.0671
Brugia malayi Cathepsin L-like precursor 0.0017 0.0005 0.0005
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0005 0.0005

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.796 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.776 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.758 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.752 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.744 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.737 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.724 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.696 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.629 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.566 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.545 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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