Detailed information for compound 69112

Basic information

Technical information
  • TDR Targets ID: 69112
  • Name: N-phenethylpropan-1-amine
  • MW: 163.259 | Formula: C11H17N
  • H donors: 1 H acceptors: 0 LogP: 2.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNCCc1ccccc1
  • InChi: 1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
  • InChiKey: IIIRPZWDICEMGU-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-phenethyl-1-propanamine
  • phenethyl(propyl)amine
  • N-(2-phenylethyl)propan-1-amine
  • 2-phenylethyl-propyl-amine
  • BAS 02561765
  • Phenethyl-propyl-amine

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
Toxoplasma gondii hypothetical protein 0.0109 0.4973 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.4973 0.4973
Loa Loa (eye worm) hypothetical protein 0.0035 0.0963 0.0963
Echinococcus multilocularis carbonic anhydrase 0.0109 0.4973 0.4973
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0202 1 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2413 0.2413
Schistosoma mansoni hypothetical protein 0.0021 0.0203 0.0203
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0202 1 1
Plasmodium falciparum carbonic anhydrase 0.0109 0.4973 0.5
Echinococcus multilocularis zinc finger protein 0.002 0.0143 0.0143
Schistosoma mansoni carbonic anhydrase-related 0.0109 0.4973 0.4973
Echinococcus granulosus muscleblind protein 0.0156 0.7486 0.7486
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0202 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0202 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.0109 0.4973 0.4973
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0109 0.4973 0.4739
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1855 0.1477
Schistosoma mansoni carbonic anhydrase 0.0109 0.4973 0.4973
Brugia malayi Muscleblind-like protein 0.0156 0.7486 0.7369
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2413 0.2413
Loa Loa (eye worm) hypothetical protein 0.0052 0.1855 0.1855
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1068 0.1068
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0109 0.4973 0.4739
Loa Loa (eye worm) carbonic anhydrase 3 0.0202 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0109 0.4973 0.4973
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0202 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0203 0.0203
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1068 0.1068
Echinococcus multilocularis carbonic anhydrase II 0.0202 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0963 0.0543
Echinococcus multilocularis carbonic anhydrase 0.0109 0.4973 0.4973
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0109 0.4973 0.4739
Brugia malayi Bromodomain containing protein 0.004 0.1202 0.0793
Loa Loa (eye worm) hypothetical protein 0.0156 0.7486 0.7486
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0035 0.0035
Schistosoma mansoni hypothetical protein 0.0035 0.0963 0.0963
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0109 0.4973 0.4739
Loa Loa (eye worm) hypothetical protein 0.0156 0.7486 0.7486
Schistosoma mansoni bromodomain containing protein 0.0066 0.2615 0.2615
Schistosoma mansoni zinc finger protein 0.002 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.004 0.1206 0.1206
Echinococcus multilocularis carbonic anhydrase 0.0109 0.4973 0.4973
Schistosoma mansoni carbonic anhydrase-related 0.0109 0.4973 0.4973
Echinococcus granulosus carbonic anhydrase II 0.0202 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0109 0.4973 0.4973
Echinococcus granulosus carbonic anhydrase 0.0109 0.4973 0.4973
Echinococcus granulosus carbonic anhydrase 0.0109 0.4973 0.4973
Leishmania major carbonic anhydrase-like protein 0.0202 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.1448 0.1448
Echinococcus granulosus zinc finger protein 0.002 0.0143 0.0143
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1855 0.1477
Echinococcus multilocularis muscleblind protein 1 0.0156 0.7486 0.7486
Loa Loa (eye worm) hypothetical protein 0.0042 0.134 0.134
Loa Loa (eye worm) hypothetical protein 0.0074 0.3036 0.3036
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0202 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1855 0.1855
Echinococcus granulosus carbonic anhydrase 0.0109 0.4973 0.4973
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0311 0.0311
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0109 0.4973 0.4739
Loa Loa (eye worm) hypothetical protein 0.0109 0.4973 0.4973
Schistosoma mansoni hypothetical protein 0.0109 0.4973 0.4973
Trypanosoma brucei carbonic anhydrase-like protein 0.0202 1 0.5
Brugia malayi Bromodomain containing protein 0.0078 0.3278 0.2965
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0311 0.0311
Echinococcus multilocularis muscleblind protein 0.0156 0.7486 0.7486

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4 mM Inhibition of Monoamine oxidase-B from Bovine liver ChEMBL. 8510099
Ki (binding) = 4 mM Inhibition of Monoamine oxidase-B from Bovine liver ChEMBL. 8510099
kinact (binding) = 4.6 min-1 Inactivation kinetic constant Monoamine oxidase-B from Bovine liver ChEMBL. 8510099
kinact (binding) = 4.6 min-1 Inactivation kinetic constant Monoamine oxidase-B from Bovine liver ChEMBL. 8510099

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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