Detailed information for compound 1125171

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 269.342 | Formula: C16H19N3O
  • H donors: 1 H acceptors: 1 LogP: 2.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CC(=C)CN1Cc2cccc3c2n(C[C@@H]1C)c(=O)[nH]3
  • InChi: 1S/C16H19N3O/c1-4-11(2)8-18-10-13-6-5-7-14-15(13)19(9-12(18)3)16(20)17-14/h4-7,12H,1-2,8-10H2,3H3,(H,17,20)/t12-/m0/s1
  • InChiKey: OCQQWRJYRKNKJW-LBPRGKRZSA-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
Entamoeba histolytica hypothetical protein 0.001 0 0.5
Onchocerca volvulus 0.0019 0.0791 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.0791 0.0791
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0118 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0019 0.0791 0.0791
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0118 1 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0118 1 0.5
Schistosoma mansoni nAChR subunit 0.0019 0.0791 0.0791
Onchocerca volvulus 0.0019 0.0791 1
Loa Loa (eye worm) ACC-1 protein 0.0019 0.0791 0.0791
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0019 0.0791 0.0791
Trichomonas vaginalis CMGC family protein kinase 0.0118 1 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0019 0.0791 0.0791
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0791 0.0791
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0019 0.0791 0.0791
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0791 0.0791
Echinococcus granulosus mitogen activated protein kinase 0.0118 1 1
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0082 0.6671 0.6671
Schistosoma mansoni nAChR subunit 0.0019 0.0791 0.0791
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0019 0.0791 0.0791
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0791 0.0791
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0019 0.0791 0.0791
Trichomonas vaginalis CMGC family protein kinase 0.0118 1 0.5
Onchocerca volvulus 0.0019 0.0791 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0791 0.0791
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0082 0.6671 0.6671
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0019 0.0791 0.0791
Trichomonas vaginalis CMGC family protein kinase 0.0118 1 0.5
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.0791 0.0791
Schistosoma mansoni hypothetical protein 0.0082 0.6671 0.6671
Loa Loa (eye worm) hypothetical protein 0.0082 0.6671 0.6671
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.0791 0.0791
Schistosoma mansoni serine/threonine protein kinase 0.0118 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0118 1 0.5
Onchocerca volvulus 0.0019 0.0791 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0791 0.0791
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.0791 0.0791
Onchocerca volvulus 0.0019 0.0791 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0019 0.0791 0.0791
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0791 0.0791
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0118 1 0.5
Onchocerca volvulus Putative nachr subunit 0.0019 0.0791 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0019 0.0791 0.0791
Schistosoma mansoni hypothetical protein 0.0082 0.6671 0.6671
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0791 0.0791
Brugia malayi excitatory GABA receptor EXP-1A 0.0019 0.0791 0.0791
Onchocerca volvulus 0.0019 0.0791 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0019 0.0791 0.0791
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0791 0.0791
Trypanosoma brucei protein kinase, putative 0.0118 1 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0019 0.0791 0.0791
Schistosoma mansoni nAChR subunit 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Trichomonas vaginalis CMGC family protein kinase 0.0118 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Schistosoma mansoni nAChR subunit 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Brugia malayi Cation transporter family protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0019 0.0791 0.0791
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0019 0.0791 0.0791
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0791 0.0791
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0019 0.0791 0.0791
Schistosoma mansoni nAChR subunit 0.0019 0.0791 0.0791
Giardia lamblia Kinase, CMGC MAPK 0.0118 1 0.5
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0082 0.6671 0.6671
Echinococcus granulosus nAChR subunit 0.0019 0.0791 0.0791
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0019 0.0791 0.0791
Loa Loa (eye worm) apoptosis regulator protein 0.0082 0.6671 0.6671
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Schistosoma mansoni apoptosis regulator bax 0.0082 0.6671 0.6671
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0019 0.0791 0.0791
Echinococcus multilocularis mitogen activated protein kinase 3 0.0118 1 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0019 0.0791 0.0791
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0118 1 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0019 0.0791 0.0791
Schistosoma mansoni nAChR subunit 0.0019 0.0791 0.0791
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0118 1 0.5
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0019 0.0791 0.0791
Echinococcus multilocularis nAChR subunit 0.0019 0.0791 0.0791
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) ACC-1 protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0118 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.0791 0.0791
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.0791 0.0791
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.0791 0.0791
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.0791 0.0791
Schistosoma mansoni hypothetical protein 0.0082 0.6671 0.6671
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0082 0.6671 0.6671
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0791 0.0791
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0019 0.0791 0.0791
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.0791 0.0791
Echinococcus multilocularis mitogen activated protein kinase 0.0118 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0118 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0118 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) LGC-31 protein 0.0019 0.0791 0.0791
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0082 0.6671 0.6671
Brugia malayi Cation transporter family protein 0.0019 0.0791 0.0791
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.0791 0.0791
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0019 0.0791 0.0791
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.0791 0.0791
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0791 0.0791
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) hypothetical protein 0.0019 0.0791 0.0791
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0019 0.0791 0.0791
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.0791 0.0791
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.0791 0.0791
Schistosoma mansoni nAChR subunit 0.0019 0.0791 0.0791
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0082 0.6671 0.6671
Brugia malayi Cation transporter family protein 0.0019 0.0791 0.0791

Activities

No activities found for this compound.

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.

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