Detailed information for compound 157140

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.376 | Formula: C19H20N2
  • H donors: 1 H acceptors: 1 LogP: 3.2 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)c1ncccc1C1=CCCC2NC1CC2
  • InChi: 1S/C19H20N2/c1-2-6-14(7-3-1)19-17(10-5-13-20-19)16-9-4-8-15-11-12-18(16)21-15/h1-3,5-7,9-10,13,15,18,21H,4,8,11-12H2
  • InChiKey: ULJPZVLIHRAUKR-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium falciparum ATP-dependent protease subunit ClpQ 0.0087 0.0519 0.0519
Onchocerca volvulus Notchless protein homolog 0.0087 0.0519 0.6194
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0241 0.2778 0.2382
Schistosoma mansoni adhesion regulating molecule 1 (110 kD cell membrane glycoprotein) 0.01 0.0703 0.0194
Plasmodium vivax proteasome subunit beta type-2, putative 0.0162 0.1628 0.1169
Brugia malayi Adhesion regulating molecule conserved region family protein 0.01 0.0703 0.0194
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0731 1 1
Leishmania major proteasome beta 3 subunit, putative 0.0087 0.0519 0.0519
Plasmodium falciparum proteasome subunit alpha type-2, putative 0.0087 0.0519 0.0519
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0162 0.1628 0.1169
Plasmodium falciparum proteasome subunit alpha type-6, putative 0.0087 0.0519 0.0519
Toxoplasma gondii adhesion regulating molecule region protein, putative 0.01 0.0703 0.0194
Loa Loa (eye worm) proteasome subunit beta type 2 0.0162 0.1628 0.1169
Mycobacterium ulcerans proteasome PrcB 0.0731 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.0241 0.2778 0.2382
Plasmodium falciparum proteasome subunit alpha type-5, putative 0.0087 0.0519 0.0519
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0241 0.2778 0.2382
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0731 1 1
Onchocerca volvulus Protein Malvolio homolog 0.0102 0.0735 1
Leishmania major proteasome beta 2 subunit, putative 0.0087 0.0519 0.0519
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0162 0.1628 0.1628
Plasmodium vivax proteasome subunit beta type-5, putative 0.0731 1 1
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0087 0.0519 0.0519
Plasmodium falciparum transporter, putative 0.0102 0.0735 0.0735
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0241 0.2778 0.2382
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0087 0.0519 0.0519
Leishmania major proteasome beta-1 subunit, putative 0.0087 0.0519 0.0519
Trypanosoma cruzi 20S proteasome subunit 0.0162 0.1628 0.1169
Leishmania major proteasome beta 2 subunit, putative 0.0162 0.1628 0.1628
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0731 1 1
Plasmodium vivax metal transporter, putative 0.0102 0.0735 0.0228
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0241 0.2778 0.2778
Echinococcus multilocularis adhesion regulating molecule 1 0.01 0.0703 0.0194
Echinococcus granulosus divalent metal transporter DMT1B 0.0102 0.0735 0.0228
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0731 1 1
Brugia malayi proteasome subunit beta type 2 0.0162 0.1628 0.1169
Plasmodium falciparum proteasome subunit alpha type-4, putative 0.0087 0.0519 0.0519
Mycobacterium leprae probable proteasome (alpha subunit) PrcA 0.0087 0.0519 0.0362
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0731 1 1
Leishmania major proteasome alpha 1 subunit, putative 0.0087 0.0519 0.0519
Giardia lamblia Proteasome subunit beta type 1 0.0241 0.2778 0.2382
Giardia lamblia Proteasome subunit beta type 2 0.0162 0.1628 0.1169
Plasmodium falciparum proteasome subunit beta type-7, putative 0.0087 0.0519 0.0519
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0162 0.1628 0.1169
Schistosoma mansoni divalent metal transporter DMT1B 0.0102 0.0735 0.0228
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0241 0.2778 0.2382
Echinococcus multilocularis proteasome (prosome, macropain) 0.0731 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0731 1 1
Leishmania major proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative) 0.0087 0.0519 0.0519
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0241 0.2778 0.2778
Plasmodium falciparum proteasome subunit alpha type-1, putative 0.0087 0.0519 0.0519
Plasmodium falciparum proteasome subunit beta type-3, putative 0.0087 0.0519 0.0519
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0087 0.0519 0.0362
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0241 0.2778 0.2382
Brugia malayi proteasome subunit beta type 1 0.0241 0.2778 0.2382
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0162 0.1628 0.1169
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0162 0.1628 0.1169
Loa Loa (eye worm) hypothetical protein 0.0102 0.0735 0.0228
Leishmania major proteasome beta 7 subunit, putative 0.0087 0.0519 0.0519
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0162 0.1628 0.1169
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0241 0.2778 0.2382
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0162 0.1628 0.1169
Leishmania major proteasome alpha 2 subunit, putative 0.0087 0.0519 0.0519
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0731 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0731 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0241 0.2778 0.2382
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0162 0.1628 0.1169
Echinococcus granulosus proteasome prosome macropain 0.0731 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0162 0.1628 0.1169
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0087 0.0519 0.0519
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0731 1 1
Echinococcus granulosus adhesion regulating molecule 1 0.01 0.0703 0.0194
Brugia malayi NRAMP-like transporter K11G12.4 0.0102 0.0735 0.0228
Loa Loa (eye worm) hypothetical protein 0.01 0.0703 0.0194
Leishmania major proteasome alpha 7 subunit, putative 0.0087 0.0519 0.0519
Plasmodium falciparum proteasome subunit beta type-6, putative 0.0087 0.0519 0.0519
Leishmania major proteasome alpha 1 subunit, putative 0.0087 0.0519 0.0519
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0087 0.0519 0.0519
Leishmania major proteasome alpha 3 subunit, putative 0.0087 0.0519 0.0519
Toxoplasma gondii proteasome subunit beta type, putative 0.0731 1 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.0241 0.2778 0.2382
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0162 0.1628 0.1169
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0731 1 1
Leishmania major proteasome alpha 7 subunit, putative 0.0087 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0102 0.0735 0.0228
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0087 0.0519 0.5
Leishmania major hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B 0.0087 0.0519 0.0519
Plasmodium falciparum proteasome subunit alpha type-3, putative 0.0087 0.0519 0.0519
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0087 0.0519 0.0519
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0731 1 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.0241 0.2778 0.2382
Plasmodium falciparum proteasome subunit beta type-5 0.0731 1 1
Echinococcus multilocularis divalent metal transporter DMT1B 0.0102 0.0735 0.0228
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0162 0.1628 0.1169
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0087 0.0519 0.0519
Plasmodium falciparum proteasome subunit beta type-4 0.0087 0.0519 0.0519
Mycobacterium ulcerans manganese transport protein MntH 0.0102 0.0735 0.0228
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0241 0.2778 0.2382
Plasmodium falciparum proteasome subunit alpha type-7, putative 0.0087 0.0519 0.0519
Toxoplasma gondii divalent metal transporter, putative 0.0102 0.0735 0.0228
Schistosoma mansoni divalent metal transporter DMT1B 0.0102 0.0735 0.0228

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 50000 nM Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand ChEMBL. 14611837
Ki (binding) > 50000 nM Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand ChEMBL. 14611837
Ki (binding) > 50000 nM Binding affinity towards Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand ChEMBL. 14611837
Ki (binding) > 50000 nM Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand ChEMBL. 14611837
Ki (binding) > 50000 nM Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand ChEMBL. 14611837
Ki (binding) > 50000 nM Binding affinity towards Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand ChEMBL. 14611837

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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