Detailed information for compound 20915

Basic information

Technical information
  • TDR Targets ID: 20915
  • Name: 1-amino-3-ethylpentan-2-ol
  • MW: 131.216 | Formula: C7H17NO
  • H donors: 2 H acceptors: 1 LogP: 0.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(CN)O)CC
  • InChi: 1S/C7H17NO/c1-3-6(4-2)7(9)5-8/h6-7,9H,3-5,8H2,1-2H3
  • InChiKey: NGNXQZFLANJCHW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-amino-3-ethyl-pentan-2-ol
  • 1-amino-3-ethyl-2-pentanol
  • 1-azanyl-3-ethyl-pentan-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
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0165 0.1473 0.2083
Schistosoma mansoni gabp alpha 0.0072 0.0481 0.0658
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0045 0.0196 0.0639
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0045 0.0196 0.013
Brugia malayi Ets-domain containing protein 0.0072 0.0481 0.1568
Trypanosoma brucei ingi protein (ORF1) 0.0132 0.1118 0.1058
Toxoplasma gondii DNA polymerase family B protein 0.0045 0.0196 0.0989
Echinococcus granulosus microtubule associated protein 2 0.0687 0.7071 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.307 1
Toxoplasma gondii DNA polymerase 0.0045 0.0196 0.0989
Trypanosoma brucei ingi protein (ORF1) 0.0132 0.1118 0.1058
Leishmania major ribonuclease H1, putative 0.0115 0.0946 0.0884
Brugia malayi DNA polymerase alpha catalytic subunit 0.0133 0.114 0.3712
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0045 0.0196 0.013
Schistosoma mansoni hypothetical protein 0.0169 0.1517 0.2073
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0072 0.0479 0.0414
Brugia malayi RNase H family protein 0.0115 0.0946 0.3081
Echinococcus multilocularis ribonuclease H1 0.0115 0.0946 0.1338
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0226 0.2133 1
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0045 0.0196 0.013
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0045 0.0196 0.0574
Trypanosoma brucei hypothetical protein, conserved 0.0132 0.1118 0.1058
Echinococcus granulosus DNA polymerase subunit gamma 0.0314 0.307 0.4342
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0165 0.1473 0.2083
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0045 0.0196 0.0919
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.0481 0.0681
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0045 0.0196 0.013
Brugia malayi RNase H family protein 0.0115 0.0946 0.3081
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0045 0.0196 0.013
Trypanosoma cruzi ribonuclease H1, putative 0.0115 0.0946 0.0884
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0072 0.0479 0.0414
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0033 0.0067 0.5
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0045 0.0196 0.0574
Schistosoma mansoni DNA polymerase gamma 0.0314 0.307 0.4196
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.0045 0.0196 0.0919
Trypanosoma cruzi thymidine kinase, putative 0.0242 0.2307 0.2255
Brugia malayi Fli-1 protein 0.0219 0.2054 0.6691
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0045 0.0196 0.12
Trichomonas vaginalis ribonuclease H1, putative 0.0115 0.0946 0.3921
Onchocerca volvulus DNA polymerase homolog 0.0045 0.0196 0.0919
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0454 0.4579 0.4542
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0045 0.0196 0.0277
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.0481 0.1568
Loa Loa (eye worm) hypothetical protein 0.0062 0.0369 0.1203
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0045 0.0196 0.12
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0045 0.0196 0.9135
Toxoplasma gondii hypothetical protein 0.0155 0.1369 1
Echinococcus granulosus DNA polymerase theta 0.0033 0.0067 0.0095
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0454 0.4579 0.4542
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0045 0.0196 0.12
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0454 0.4579 0.4542
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0045 0.0196 0.013
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0045 0.0196 0.0277
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0072 0.0479 0.1837
Trypanosoma cruzi thymidine kinase, putative 0.0242 0.2307 0.2255
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0062 0.0369 0.0505
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0132 0.1118 0.1058
Echinococcus multilocularis DNA polymerase theta 0.0033 0.0067 0.0095
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.1472 0.1414
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0045 0.0196 0.013
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.0481 0.0681
Plasmodium vivax DNA polymerase alpha, putative 0.0133 0.114 1
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0045 0.0196 0.0574
Giardia lamblia Thymidine kinase 0.0242 0.2307 1
Brugia malayi DNA polymerase I family protein 0.0314 0.307 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.2133 0.6949
Mycobacterium tuberculosis Conserved hypothetical protein 0.0506 0.5129 1
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0045 0.0196 0.0277
Trypanosoma brucei thymidine kinase 0.0242 0.2307 0.2255
Trypanosoma brucei unspecified product 0.0132 0.1118 0.1058
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0045 0.0196 0.0268
Brugia malayi DNA polymerase I family protein 0.0033 0.0067 0.022
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0045 0.0196 0.0268
Schistosoma mansoni hypothetical protein 0.071 0.7316 1
Toxoplasma gondii ribonuclease HI protein 0.0115 0.0946 0.6751
Schistosoma mansoni microtubule-associated protein tau 0.0687 0.7071 0.9665
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.096 1 1
Echinococcus multilocularis hypothetical protein 0.0314 0.307 0.4342
Brugia malayi DNA polymerase delta catalytic subunit 0.0045 0.0196 0.0639
Mycobacterium ulcerans hypothetical protein 0.0506 0.5129 1
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0045 0.0196 0.0268
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0045 0.0196 0.0639
Trypanosoma brucei ribonuclease H1 0.0115 0.0946 0.0884
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0047 0.0208 0.0629
Echinococcus multilocularis geminin 0.0169 0.1517 0.2145
Trypanosoma brucei RNA helicase, putative 0.071 0.7316 0.7298
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0135 0.1156 0.1096
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0135 0.1156 0.1096
Trypanosoma brucei mitochondrial DNA polymerase beta 0.096 1 1
Leishmania major thymidine kinase, putative 0.0242 0.2307 0.2255
Echinococcus granulosus geminin 0.0169 0.1517 0.2145
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0045 0.0196 0.0277
Loa Loa (eye worm) fli-1 protein 0.0219 0.2054 0.6691
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0047 0.0208 1
Trypanosoma cruzi ribonuclease H1, putative 0.0115 0.0946 0.0884
Brugia malayi Ets-domain containing protein 0.0072 0.0481 0.1568
Schistosoma mansoni ets-related 0.0219 0.2054 0.2808
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0045 0.0196 0.0277
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0045 0.0196 0.0277
Trichomonas vaginalis DNA polymerase II, putative 0.0072 0.0479 0.1837
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0045 0.0196 0.0574
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0135 0.1156 0.1096
Loa Loa (eye worm) hypothetical protein 0.0033 0.0067 0.022
Schistosoma mansoni phosphoglucomutase 0.0115 0.0946 0.1293
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0072 0.0479 0.0414
Schistosoma mansoni hypothetical protein 0.0169 0.1517 0.2073
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0045 0.0196 0.013
Brugia malayi DNA polymerase family B containing protein 0.0045 0.0196 0.0639
Echinococcus multilocularis microtubule associated protein 2 0.0687 0.7071 1
Schistosoma mansoni DNA polymerase I 0.0033 0.0067 0.0092
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0115 0.0946 1
Treponema pallidum ribonuclease H (rnhA) 0.0115 0.0946 1
Giardia lamblia Ribonuclease H 0.0115 0.0946 0.3551
Schistosoma mansoni phosphoglucomutase 0.0115 0.0946 0.1293
Chlamydia trachomatis DNA polymerase I 0.0033 0.0067 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0135 0.1156 0.1096
Trichomonas vaginalis thymidine kinase, putative 0.0242 0.2307 1
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0133 0.114 0.824
Schistosoma mansoni phosphoglucomutase 0.0115 0.0946 0.1293
Trichomonas vaginalis thymidine kinase, putative 0.0242 0.2307 1
Onchocerca volvulus Ribonuclease H1 homolog 0.0115 0.0946 0.4433
Entamoeba histolytica thymidine kinase, putative 0.0242 0.2307 1
Giardia lamblia DNA polymerase alpha subunit A 0.0139 0.1202 0.4765
Trichomonas vaginalis thymidine kinase, putative 0.0242 0.2307 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0165 0.1473 0.2013
Brugia malayi RNase H family protein 0.0115 0.0946 0.3081
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.096 1 1
Echinococcus granulosus ribonuclease H1 0.0115 0.0946 0.1338

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 545 uM Inhibitory activity against phenylethanolamine N-methyltransferase ChEMBL. 7205880
IC50 (binding) = 545 uM Inhibitory activity against phenylethanolamine N-methyltransferase ChEMBL. 7205880

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

1 literature reference was collected for this gene.

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