Detailed information for compound 1685821

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.373 | Formula: C22H14N4O
  • H donors: 0 H acceptors: 4 LogP: 2.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ncccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1
  • InChi: 1S/C22H14N4O/c23-14-21-18(9-6-12-25-21)19-13-16(20-10-4-5-11-24-20)15-26(22(19)27)17-7-2-1-3-8-17/h1-13,15H
  • InChiKey: PLIZTYWVQASSAE-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
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0037 0.1018 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0037 0.1018 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0037 0.1018 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0037 0.1018 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0037 0.1018 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0037 0.1018 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0037 0.1018 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0188 1 0.5
Onchocerca volvulus 0.0037 0.1018 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0188 1 0.5
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0037 0.1018 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0037 0.1018 1
Loa Loa (eye worm) ACC-1 protein 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0188 1 0.5
Onchocerca volvulus 0.0037 0.1018 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.1018 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0037 0.1018 1
Echinococcus granulosus glycine receptor subunit beta 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Echinococcus multilocularis glycine receptor subunit beta 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit 0.0037 0.1018 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0037 0.1018 1
Echinococcus multilocularis glycine receptor subunit beta 0.0037 0.1018 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0037 0.1018 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0037 0.1018 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0188 1 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0037 0.1018 1
Echinococcus granulosus nAChR subunit 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0037 0.1018 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0037 0.1018 1
Echinococcus granulosus glycine receptor subunit beta 0.0037 0.1018 1
Entamoeba histolytica hypothetical protein 0.002 0 0.5
Echinococcus multilocularis nAChR subunit 0.0037 0.1018 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0037 0.1018 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0037 0.1018 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.1018 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0037 0.1018 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0037 0.1018 1
Brugia malayi Cation transporter family protein 0.0037 0.1018 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0188 1 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0037 0.1018 1
Onchocerca volvulus 0.0037 0.1018 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0188 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0037 0.1018 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0037 0.1018 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0037 0.1018 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0037 0.1018 1
Loa Loa (eye worm) ACC-1 protein 0.0037 0.1018 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0037 0.1018 1
Onchocerca volvulus 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Loa Loa (eye worm) LGC-31 protein 0.0037 0.1018 1
Onchocerca volvulus 0.0037 0.1018 1
Brugia malayi Cation transporter family protein 0.0037 0.1018 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0037 0.1018 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0037 0.1018 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0037 0.1018 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0037 0.1018 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit 0.0037 0.1018 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0037 0.1018 1
Trichomonas vaginalis hypothetical protein 0.0188 1 0.5
Plasmodium falciparum enoyl-acyl carrier reductase 0.0188 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Onchocerca volvulus 0.0037 0.1018 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0037 0.1018 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0037 0.1018 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0037 0.1018 1
Onchocerca volvulus Putative nachr subunit 0.0037 0.1018 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Brugia malayi Cation transporter family protein 0.0037 0.1018 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0037 0.1018 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0037 0.1018 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1018 1
Schistosoma mansoni nAChR subunit 0.0037 0.1018 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.1018 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0037 0.1018 1

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) = 0.015 microL/min/mg Intrinsic clearance in mouse liver microsomes after 15 mins by LC/MS/MS analysis ChEMBL. 23181587

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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