Detailed information for compound 895222

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.408 | Formula: C19H16N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)NCC1Cc2c(O1)c(ccc2)c1ccncc1
  • InChi: 1S/C19H16N2O2S/c22-19(17-5-2-10-24-17)21-12-15-11-14-3-1-4-16(18(14)23-15)13-6-8-20-9-7-13/h1-10,15H,11-12H2,(H,21,22)
  • InChiKey: OIHUVWSKSZSJAQ-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 Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0041 0.1148 0.1148
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0041 0.1148 0.1148
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0.1148 0.1148
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0041 0.1148 0.1148
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0041 0.1148 0.1148
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0041 0.1148 0.1148
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0041 0.1148 0.1148
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0041 0.1148 0.1148
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Onchocerca volvulus 0.0041 0.1148 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0041 0.1148 0.1148
Echinococcus granulosus acetylcholinesterase 0.0156 1 1
Loa Loa (eye worm) LGC-31 protein 0.0041 0.1148 0.1148
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0156 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0041 0.1148 0.1148
Onchocerca volvulus 0.0041 0.1148 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0041 0.1148 0.1148
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0041 0.1148 0.1148
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0041 0.1148 0.1148
Loa Loa (eye worm) carboxylesterase 0.0156 1 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0041 0.1148 0.1148
Echinococcus granulosus glycine receptor subunit beta 0.0041 0.1148 0.1148
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0041 0.1148 0.1148
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0041 0.1148 0.1148
Schistosoma mansoni nAChR subunit 0.0041 0.1148 0.1148
Loa Loa (eye worm) ACC-1 protein 0.0041 0.1148 0.1148
Echinococcus multilocularis acetylcholinesterase 0.0156 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0041 0.1148 0.1148
Loa Loa (eye worm) acetylcholinesterase 1 0.0156 1 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0041 0.1148 0.1148
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0041 0.1148 0.1148
Echinococcus multilocularis carboxylesterase 5A 0.0156 1 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0041 0.1148 0.1148
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0026 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0041 0.1148 0.1148
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0.1148 0.1148
Onchocerca volvulus 0.0041 0.1148 1
Echinococcus granulosus nAChR subunit 0.0041 0.1148 0.1148
Echinococcus multilocularis glycine receptor subunit beta 0.0041 0.1148 0.1148
Mycobacterium tuberculosis Carboxylesterase LipT 0.0026 0 0.5
Echinococcus granulosus glycine receptor subunit beta 0.0041 0.1148 0.1148
Loa Loa (eye worm) ACC-1 protein 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0041 0.1148 0.1148
Onchocerca volvulus 0.0041 0.1148 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0041 0.1148 0.1148
Onchocerca volvulus 0.0041 0.1148 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0.1148 0.1148
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0041 0.1148 0.1148
Schistosoma mansoni nAChR subunit 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0041 0.1148 0.1148
Echinococcus multilocularis acetylcholinesterase 0.0156 1 1
Onchocerca volvulus Putative nachr subunit 0.0041 0.1148 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0041 0.1148 0.1148
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0041 0.1148 0.1148
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0041 0.1148 0.1148
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0041 0.1148 0.1148
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Schistosoma mansoni nAChR subunit 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0041 0.1148 0.1148
Schistosoma mansoni nAChR subunit 0.0041 0.1148 0.1148
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0.1148 0.1148
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0041 0.1148 0.1148
Echinococcus multilocularis glycine receptor subunit beta 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0026 0 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0041 0.1148 0.1148
Echinococcus granulosus glycine receptor subunit alpha 1 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Echinococcus granulosus acetylcholinesterase 0.0156 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0.1148 0.1148
Brugia malayi Cation transporter family protein 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Brugia malayi Carboxylesterase family protein 0.0156 1 1
Schistosoma mansoni nAChR subunit 0.0041 0.1148 0.1148
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0041 0.1148 0.1148
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Brugia malayi excitatory GABA receptor EXP-1A 0.0041 0.1148 0.1148
Brugia malayi Cation transporter family protein 0.0041 0.1148 0.1148
Trichomonas vaginalis spcc417.12 protein, putative 0.0026 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0041 0.1148 0.1148
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0.1148 0.1148
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0041 0.1148 0.1148
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0041 0.1148 0.1148
Onchocerca volvulus 0.0041 0.1148 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Schistosoma mansoni nAChR subunit 0.0041 0.1148 0.1148
Mycobacterium ulcerans carboxylesterase, LipT 0.0026 0 0.5
Echinococcus multilocularis nAChR subunit 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0041 0.1148 0.1148
Schistosoma mansoni nAChR subunit 0.0041 0.1148 0.1148
Brugia malayi Cation transporter family protein 0.0041 0.1148 0.1148
Loa Loa (eye worm) hypothetical protein 0.0041 0.1148 0.1148
Echinococcus granulosus carboxylesterase 5A 0.0156 1 1

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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