Detailed information for compound 882152

Basic information

Technical information
  • TDR Targets ID: 882152
  • Name: 1-prop-2-ynoxy-3-(1,3,4,9-tetrahydropyrido[3, 4-b]indol-2-yl)propan-2-ol
  • MW: 284.353 | Formula: C17H20N2O2
  • H donors: 2 H acceptors: 1 LogP: 1.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCOCC(CN1CCc2c(C1)[nH]c1c2cccc1)O
  • InChi: 1S/C17H20N2O2/c1-2-9-21-12-13(20)10-19-8-7-15-14-5-3-4-6-16(14)18-17(15)11-19/h1,3-6,13,18,20H,7-12H2
  • InChiKey: VXPWLAIHOWFICZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-propargyloxy-3-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)propan-2-ol

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
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0155 0.1436
Schistosoma mansoni DNA polymerase eta 0.0066 0.0156 0.0973
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0049 0.0072 1
Trichomonas vaginalis C-MYB, putative 0.0049 0.0072 0.9763
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.005 0.0073 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0022 0.0199
Plasmodium falciparum glutathione reductase 0.0098 0.0318 0.5
Schistosoma mansoni ATP synthase F0 subunit 6 0.0217 0.0928 0.5785
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0049 0.0072 0.9763
Plasmodium vivax thioredoxin reductase, putative 0.0098 0.0318 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0222 0.0956 0.1313
Trypanosoma brucei trypanothione reductase 0.0098 0.0318 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0049 0.0072 0.9763
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.001 0.0063
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0049 0.0072 0.9763
Brugia malayi glutathione reductase 0.0098 0.0318 0.2951
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0022 0.0078
Trichomonas vaginalis C-MYB, putative 0.0049 0.0072 0.9763
Trichomonas vaginalis pc-MYB2, putative 0.0049 0.0072 0.9763
Echinococcus multilocularis dna polymerase eta 0.0066 0.0156 0.0916
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.1077 1
Echinococcus granulosus geminin 0.035 0.1604 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0049 0.0072 1
Echinococcus granulosus dna polymerase eta 0.0066 0.0156 0.0916
Brugia malayi Thioredoxin reductase 0.0098 0.0318 0.2951
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0155 0.0964
Brugia malayi RNA binding protein 0.0066 0.0155 0.1436
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0049 0.0072 1
Plasmodium falciparum thioredoxin reductase 0.0098 0.0318 0.5
Brugia malayi hypothetical protein 0.0037 0.001 0.0093
Giardia lamblia Myb 1-like protein 0.005 0.0073 1
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1994 1 1
Schistosoma mansoni hypothetical protein 0.035 0.1604 1
Toxoplasma gondii thioredoxin reductase 0.0098 0.0318 0.1128
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0247 0.1082 0.1491
Plasmodium vivax glutathione reductase, putative 0.0098 0.0318 0.5
Echinococcus multilocularis dna polymerase kappa 0.004 0.0022 0.0078
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0022 0.0199
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0083 0.0774
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1994 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0022 0.0199
Brugia malayi ImpB/MucB/SamB family protein 0.0066 0.0156 0.1449
Echinococcus multilocularis geminin 0.035 0.1604 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1994 1 0.5
Schistosoma mansoni hypothetical protein 0.035 0.1604 1
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) 0.0217 0.0928 0.1274
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0083 0.0774
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0022 0.0199
Trypanosoma cruzi DNA polymerase eta, putative 0.0066 0.0156 0.4633
Leishmania major trypanothione reductase 0.0098 0.0318 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0222 0.0956 0.1313
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0022 0.0208
Mycobacterium tuberculosis Probable dehydrogenase 0.0222 0.0956 0.1313
Echinococcus granulosus tar DNA binding protein 0.0066 0.0155 0.0907
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0049 0.0072 0.9763
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0022 0.0208
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0022 0.0078
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.005 0.0073 1
Brugia malayi MH2 domain containing protein 0.0246 0.1077 1
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0562 0.269 0.2841
Loa Loa (eye worm) hypothetical protein 0.0066 0.0156 0.1449
Trichomonas vaginalis MYB, putative 0.005 0.0073 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0155 0.1436
Loa Loa (eye worm) glutathione reductase 0.0098 0.0318 0.2951
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0155 0.0907
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0155 0.0964
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0155 0.0964
Trichomonas vaginalis MYB72, putative 0.0049 0.0072 0.9763
Mycobacterium ulcerans F0F1 ATP synthase subunit A 0.0217 0.0928 0.0908
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0022 0.2001
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0049 0.0072 0.9763
Trypanosoma cruzi trypanothione reductase, putative 0.0098 0.0318 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0083 0.0774
Trichomonas vaginalis MYB3r3, putative 0.0049 0.0072 0.9763
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0022 0.0199
Loa Loa (eye worm) thioredoxin reductase 0.0098 0.0318 0.2951
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0222 0.0956 0.1313
Mycobacterium tuberculosis Probable oxidoreductase 0.0247 0.1082 0.1491
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.1432 0.713 1
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0562 0.269 1
Echinococcus granulosus dna polymerase kappa 0.004 0.0022 0.0078
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0562 0.269 0.2673
Brugia malayi TAR-binding protein 0.0066 0.0155 0.1436
Trichomonas vaginalis pc-MYB2, putative 0.0049 0.0072 0.9763
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0155 0.0964
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0022 0.014
Loa Loa (eye worm) hypothetical protein 0.0052 0.0083 0.0774
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0049 0.0072 0.9763
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0155 0.0964
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.1077 1
Mycobacterium tuberculosis Probable reductase 0.0222 0.0956 0.1313
Echinococcus granulosus thioredoxin glutathione reductase 0.0098 0.0318 0.1931
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.1432 0.713 1
Trypanosoma brucei DNA polymerase eta, putative 0.0066 0.0156 0.4524
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0247 0.1082 0.0249
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0098 0.0318 0.0416
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0222 0.0956 0.0045
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0222 0.0956 0.1313
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.005 0.0073 0.0212
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0247 0.1082 0.1491
Schistosoma mansoni hypothetical protein 0.0037 0.001 0.0063
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0155 0.1436
Leishmania major DNA polymerase kappa, putative 0.004 0.0022 0.0199
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0049 0.0072 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0098 0.0318 0.1931
Leishmania major DNA polymerase eta, putative 0.0066 0.0156 0.4633
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0049 0.0072 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0022 0.014
Loa Loa (eye worm) RNA binding protein 0.0066 0.0155 0.1436

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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