Detailed information for compound 1671780

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.207 | Formula: C18H12Cl2N2O
  • H donors: 0 H acceptors: 1 LogP: 5.17 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1=NOC(C1)c1cc2ccccc2nc1Cl
  • InChi: 1S/C18H12Cl2N2O/c19-13-7-5-11(6-8-13)16-10-17(23-22-16)14-9-12-3-1-2-4-15(12)21-18(14)20/h1-9,17H,10H2
  • InChiKey: OLMNZEQYCBYXED-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
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0085 0.2026 0.2026
Echinococcus granulosus glycine receptor subunit beta 0.0085 0.2026 0.2026
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0234 1 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0085 0.2026 0.2026
Echinococcus multilocularis cathepsin b 0.0145 0.5217 0.5217
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0085 0.2026 0.2026
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0085 0.2026 0.2026
Echinococcus granulosus glycine receptor subunit beta 0.0085 0.2026 0.2026
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0056 0.045 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0121 0.3907 0.3907
Echinococcus multilocularis nAChR subunit 0.0085 0.2026 0.2026
Echinococcus granulosus cathepsin b 0.0145 0.5217 0.5217
Plasmodium vivax vivapain-2 0.0047 0 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0085 0.2026 0.2026
Schistosoma mansoni nAChR subunit 0.0085 0.2026 0.3369
Brugia malayi Cation transporter family protein 0.0085 0.2026 0.2026
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Onchocerca volvulus 0.016 0.6013 0.6013
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Onchocerca volvulus 0.0085 0.2026 0.2026
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0085 0.2026 0.2026
Giardia lamblia Cathepsin B precursor 0.0056 0.045 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0085 0.2026 0.2026
Giardia lamblia Cathepsin B precursor 0.0056 0.045 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0085 0.2026 0.2026
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0085 0.2026 0.2026
Echinococcus granulosus glycine receptor subunit alpha 1 0.0085 0.2026 0.2026
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.016 0.6013 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0145 0.5217 0.8677
Toxoplasma gondii cathepsin B 0.0056 0.045 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0085 0.2026 0.2026
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0085 0.2026 0.2026
Brugia malayi cathepsin B-like cysteine proteinase 0.0145 0.5217 0.5217
Loa Loa (eye worm) hypothetical protein 0.0234 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0234 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0234 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0085 0.2026 0.2026
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0234 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0234 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0234 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0145 0.5217 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0234 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0085 0.2026 0.2026
Schistosoma mansoni nAChR subunit 0.0085 0.2026 0.3369
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 0.5217 0.8677
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0047 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.016 0.6013 0.6013
Entamoeba histolytica cysteine proteinase, putative 0.0047 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0047 0 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0085 0.2026 0.3369
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0085 0.2026 0.2026
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0085 0.2026 0.2026
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0056 0.045 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Echinococcus granulosus glycine receptor subunit alpha 1 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0085 0.2026 0.2026
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0085 0.2026 0.2026
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0085 0.2026 0.2026
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0085 0.2026 0.2026
Onchocerca volvulus Putative nachr subunit 0.0234 1 1
Schistosoma mansoni nAChR subunit 0.0085 0.2026 0.3369
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0085 0.2026 0.2026
Loa Loa (eye worm) LGC-31 protein 0.0085 0.2026 0.2026
Schistosoma mansoni nAChR subunit 0.0085 0.2026 0.3369
Onchocerca volvulus 0.016 0.6013 0.6013
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Loa Loa (eye worm) ACC-1 protein 0.0085 0.2026 0.2026
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0085 0.2026 0.2026
Echinococcus granulosus nAChR subunit 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Brugia malayi Cation transporter family protein 0.016 0.6013 0.6013
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 0.5217 0.8677
Trypanosoma brucei cysteine peptidase C (CPC) 0.0056 0.045 1
Echinococcus multilocularis glycine receptor subunit beta 0.0085 0.2026 0.2026
Echinococcus granulosus cathepsin b 0.0145 0.5217 0.5217
Onchocerca volvulus 0.0085 0.2026 0.2026
Loa Loa (eye worm) ACC-1 protein 0.0085 0.2026 0.2026
Entamoeba histolytica cysteine proteinase, putative 0.0047 0 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0056 0.045 0.0748
Loa Loa (eye worm) hypothetical protein 0.0145 0.5217 0.5217
Onchocerca volvulus 0.016 0.6013 0.6013
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0085 0.2026 0.2026
Schistosoma mansoni nAChR subunit 0.0085 0.2026 0.3369
Loa Loa (eye worm) cathepsin B 0.0056 0.045 0.045
Brugia malayi excitatory GABA receptor EXP-1A 0.0085 0.2026 0.2026
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0085 0.2026 0.3369
Loa Loa (eye worm) hypothetical protein 0.016 0.6013 0.6013
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0085 0.2026 0.2026
Onchocerca volvulus 0.0085 0.2026 0.2026
Giardia lamblia Cathepsin B precursor 0.0056 0.045 0.5
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0085 0.2026 0.2026
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0085 0.2026 0.2026
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0085 0.2026 0.3369
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0085 0.2026 0.2026
Schistosoma mansoni nAChR subunit 0.0085 0.2026 0.3369
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0085 0.2026 0.3369
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0056 0.045 0.0862
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 0.5217 0.8677
Plasmodium vivax vivapain-2 0.0047 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0085 0.2026 0.2026
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0047 0 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.016 0.6013 1
Schistosoma mansoni nAChR subunit 0.0085 0.2026 0.3369
Brugia malayi Cation transporter family protein 0.0085 0.2026 0.2026
Echinococcus granulosus glycine receptor subunit alpha 1 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026
Echinococcus multilocularis cathepsin b 0.0145 0.5217 0.5217
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0085 0.2026 0.2026
Plasmodium falciparum cysteine proteinase falcipain 3 0.0047 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0047 0 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0085 0.2026 0.2026
Loa Loa (eye worm) hypothetical protein 0.0085 0.2026 0.2026

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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