Detailed information for compound 2131681

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 230.178 | Formula: C15H22N2
  • H donors: 2 H acceptors: 0 LogP: 2.14 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 0
  • SMILES: NC1CCC(CC1)N[C@H]1C[C@H]1c1ccccc1
  • InChi: InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15-/m0/s1
  • InChiKey: ALHBJBCQLJZYON-WUCCLRPBSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens monoamine oxidase B No references
Homo sapiens monoamine oxidase A No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi amine oxidase, flavin-containing family protein monoamine oxidase A 527 aa 474 aa 22.4 %
Brugia malayi amine oxidase, flavin-containing family protein monoamine oxidase B 520 aa 462 aa 19.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Chlamydia trachomatis protoporphyrinogen oxidase 0.0067 0.083 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0133 0.1738 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0067 0.083 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0067 0.083 0.5
Plasmodium vivax hypothetical protein, conserved 0.0067 0.083 0.5
Plasmodium vivax hypothetical protein, conserved 0.0067 0.083 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0133 0.1738 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0067 0.083 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0926 0.3382
Leishmania major UDP-galactopyranose mutase 0.0067 0.083 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0067 0.083 0.5
Loa Loa (eye worm) hypothetical protein 0.014 0.1834 0.6698
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0067 0.083 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.083 0.303
Brugia malayi hypothetical protein 0.0067 0.083 0.3122
Echinococcus multilocularis 0.0067 0.083 0.4775
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0133 0.1738 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.1738 0.6346
Brugia malayi amine oxidase, flavin-containing family protein 0.0074 0.0926 0.3485
Onchocerca volvulus CoRest homolog 0.0206 0.2738 1
Loa Loa (eye worm) hypothetical protein 0.02 0.2658 0.9706
Brugia malayi SWIRM domain containing protein 0.014 0.1834 0.6901
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0667 0.9074 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.083 0.303
Trypanosoma cruzi UDP-galactopyranose mutase 0.0067 0.083 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0067 0.083 0.4775
Loa Loa (eye worm) hypothetical protein 0.0206 0.2738 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0067 0.083 0.4775
Plasmodium falciparum protoporphyrinogen oxidase 0.0067 0.083 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0067 0.083 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0734 1 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0067 0.083 0.5
Schistosoma mansoni amine oxidase 0.0067 0.083 0.4775
Echinococcus multilocularis protoporphyrinogen oxidase 0.0067 0.083 0.4775
Loa Loa (eye worm) hypothetical protein 0.0133 0.1738 0.6346
Toxoplasma gondii histone lysine-specific demethylase 0.0067 0.083 1
Brugia malayi Myb-like DNA-binding domain containing protein 0.02 0.2658 1
Schistosoma mansoni amine oxidase 0.0067 0.083 0.4775

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1360 nM Fluorescence-Based (Inhibitor)-Screening Assay BINDINGDB. No reference
IC50 (binding) = 5230 nM Fluorescence-Based (Inhibitor)-Screening Assay BINDINGDB. 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.