Detailed information for compound 1818639

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.892 | Formula: C14H33ClN4
  • H donors: 4 H acceptors: 0 LogP: 1.07 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNCCCNC/C=C\CNCCCNCC.Cl
  • InChi: 1S/C14H32N4.ClH/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2;/h5-6,15-18H,3-4,7-14H2,1-2H3;1H/b6-5-;
  • InChiKey: VPYLLPVLWBWBLG-YSMBQZINSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 1A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi SWIRM domain containing protein Get druggable targets OG5_130448 All targets in OG5_130448
Echinococcus multilocularis lysine specific histone demethylase 1A Get druggable targets OG5_130448 All targets in OG5_130448
Echinococcus granulosus lysine specific histone demethylase 1A Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Onchocerca volvulus Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma japonicum Lysine-specific histone demethylase 1, putative Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma japonicum ko:K00540 amine oxidase (flavin containing) domain 2 [EC:1.-.-.-], putative Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma mansoni Lysine-specific histone demethylase 1 Get druggable targets OG5_130448 All targets in OG5_130448
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 multilocularis mitogen activated protein kinase 0.0108 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0108 1 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0024 0.0766 0.0766
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.7985 0.7985
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0108 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0108 1 1
Mycobacterium ulcerans monoamine oxidase 0.0017 0 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0108 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0766 0.0766
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0108 1 1
Plasmodium vivax hypothetical protein, conserved 0.0017 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0108 1 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0083 0.7219 0.7219
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0017 0 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0017 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0017 0 0.5
Onchocerca volvulus 0.009 0.7985 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0108 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.7219 0.7219
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0083 0.7219 0.7219
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0108 1 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0108 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0108 1 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0108 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0108 1 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0017 0 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0017 0 0.5
Mycobacterium ulcerans oxidoreductase 0.0017 0 0.5
Trypanosoma brucei protein kinase, putative 0.0108 1 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0017 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0108 1 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0017 0 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0017 0 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0017 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0017 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0108 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.7219 0.7219
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0108 1 1
Brugia malayi SWIRM domain containing protein 0.009 0.7985 0.7985
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0017 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0108 1 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0017 0 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0083 0.7219 0.7219
Echinococcus granulosus mitogen activated protein kinase 0.0108 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0108 1 1
Mycobacterium ulcerans dehydrogenase 0.0017 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.25 uM Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21(DE3) using H3K4me2 as substrate by chemiluminescence assay ChEMBL. 24237195

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.

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