Detailed information for compound 1841870

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.705 | Formula: C18H18BrClN2O2
  • H donors: 2 H acceptors: 2 LogP: 4.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)c1c(Br)cccc1C(=O)Nc1ccc(cc1C)Cl)C
  • InChi: 1S/C18H18BrClN2O2/c1-10(2)21-18(24)16-13(5-4-6-14(16)19)17(23)22-15-8-7-12(20)9-11(15)3/h4-10H,1-3H3,(H,21,24)(H,22,23)
  • InChiKey: HFHRPBGKXBNKII-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Spodoptera exigua Ryanodien receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05327 ryanodine receptor, invertebrate, putative Get druggable targets OG5_129275 All targets in OG5_129275
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129275 All targets in OG5_129275
Brugia malayi Ryanodine Receptor TM 4-6 family protein Get druggable targets OG5_129275 All targets in OG5_129275
Loa Loa (eye worm) ryanodine receptor Get druggable targets OG5_129275 All targets in OG5_129275
Echinococcus multilocularis ryanodine receptor 44f Get druggable targets OG5_129275 All targets in OG5_129275
Echinococcus multilocularis ryanodine receptor 44f Get druggable targets OG5_129275 All targets in OG5_129275
Loa Loa (eye worm) ryanodine receptor Get druggable targets OG5_129275 All targets in OG5_129275
Schistosoma mansoni ryanodine receptor related Get druggable targets OG5_129275 All targets in OG5_129275
Schistosoma japonicum Ryanodine receptor 3, putative Get druggable targets OG5_129275 All targets in OG5_129275
Schistosoma japonicum ko:K04963 ryanodine receptor 3 (brain), putative Get druggable targets OG5_129275 All targets in OG5_129275
Echinococcus granulosus ryanodine receptor 44f Get druggable targets OG5_129275 All targets in OG5_129275
Echinococcus granulosus ryanodine receptor 44f Get druggable targets OG5_129275 All targets in OG5_129275

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
Onchocerca volvulus 0.0059 0.1234 0.1438
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.011 0.4304 0.3862
Loa Loa (eye worm) ACC-1 protein 0.011 0.4304 0.7897
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0059 0.1234 0.0555
Echinococcus multilocularis glycine receptor subunit beta 0.011 0.4304 0.5172
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.011 0.4304 0.3862
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Echinococcus multilocularis ryanodine receptor 44f 0.0166 0.765 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.011 0.4304 0.3878
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0059 0.1234 0.0579
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0059 0.1234 0.0579
Schistosoma mansoni nAChR subunit 0.0051 0.0719 0.0025
Onchocerca volvulus 0.011 0.4304 1
Echinococcus multilocularis nAChR subunit 0.011 0.4304 0.5172
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.011 0.4304 0.5172
Leishmania major hypothetical protein, conserved 0.005 0.0677 0.5
Schistosoma mansoni nAChR subunit 0.0051 0.0719 0.0025
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.011 0.4304 0.5172
Loa Loa (eye worm) GABA receptor subunit 0.0059 0.1234 0.2265
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2265
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.011 0.4304 0.3862
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.011 0.4304 0.5172
Schistosoma mansoni nAChR subunit 0.011 0.4304 0.3878
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2265
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.011 0.4304 0.3878
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.011 0.4304 0.5172
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.011 0.4304 0.3862
Echinococcus granulosus nAChR subunit 0.0059 0.1234 0.0743
Schistosoma mansoni nAChR subunit 0.011 0.4304 0.3878
Entamoeba histolytica hypothetical protein 0.0059 0.1234 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2265
Loa Loa (eye worm) acetylcholine receptor protein 0.0051 0.0719 0.1319
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.011 0.4304 0.3878
Echinococcus multilocularis ryanodine receptor 44f 0.0129 0.545 0.6826
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.011 0.4304 0.5172
Onchocerca volvulus 0.011 0.4304 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.011 0.4304 0.3878
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0063 0.1426 0.0785
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0059 0.1234 0.0555
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2265
Onchocerca volvulus 0.011 0.4304 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.011 0.4304 0.5172
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.011 0.4304 0.7897
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.011 0.4304 0.3862
Echinococcus granulosus glycine receptor subunit alpha 1 0.011 0.4304 0.5172
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.011 0.4304 0.5172
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.011 0.4304 0.3862
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Onchocerca volvulus 0.011 0.4304 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.011 0.4304 0.3862
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.011 0.4304 0.3862
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.011 0.4304 0.7897
Schistosoma mansoni nAChR subunit 0.011 0.4304 0.3878
Echinococcus granulosus nAChR subunit 0.011 0.4304 0.5172
Schistosoma mansoni nAChR subunit 0.011 0.4304 0.3878
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.011 0.4304 0.5172
Echinococcus granulosus glycine receptor subunit alpha 1 0.011 0.4304 0.5172
Schistosoma mansoni neurotransmitter gated ion channel 0.0051 0.0719 0.0025
Onchocerca volvulus Putative nachr subunit 0.011 0.4304 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.011 0.4304 0.5172
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0074 0.2103 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Schistosoma mansoni ryanodine receptor related 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2265
Brugia malayi cation channel family protein 0.0088 0.293 0.2382
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Schistosoma mansoni nAChR subunit 0.011 0.4304 0.3878
Brugia malayi Cation transporter family protein 0.011 0.4304 0.3862
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.011 0.4304 0.5172
Loa Loa (eye worm) ryanodine receptor 0.0076 0.2263 0.4153
Schistosoma mansoni neurotransmitter gated ion channel 0.0059 0.1234 0.0579
Schistosoma mansoni nAChR subunit 0.011 0.4304 0.3878
Echinococcus granulosus glycine receptor subunit alpha 1 0.011 0.4304 0.5172
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.011 0.4304 0.3862
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.011 0.4304 0.5172
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2265
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Schistosoma mansoni neurotransmitter gated ion channel 0.0051 0.0719 0.0025
Echinococcus granulosus glycine receptor subunit beta 0.011 0.4304 0.5172
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.011 0.4304 0.5172
Onchocerca volvulus 0.0059 0.1234 0.1438
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2265
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.011 0.4304 0.3862
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0051 0.0719 0.1319
Echinococcus multilocularis glycine receptor subunit alpha 1 0.011 0.4304 0.5172
Brugia malayi Cation transporter family protein 0.011 0.4304 0.3862
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.011 0.4304 0.3862
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.011 0.4304 0.3862
Onchocerca volvulus 0.011 0.4304 1
Brugia malayi excitatory GABA receptor EXP-1A 0.011 0.4304 0.3862
Schistosoma mansoni acetylcholine receptor-related 0.0051 0.0719 0.0025
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.011 0.4304 0.3878
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2265
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Schistosoma mansoni acetylcholine receptor subunit beta 0.0051 0.0719 0.0025
Loa Loa (eye worm) LGC-31 protein 0.011 0.4304 0.7897
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.011 0.4304 0.5172
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.011 0.4304 0.3862
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Echinococcus multilocularis glycine receptor subunit alpha 1 0.011 0.4304 0.5172
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.011 0.4304 0.3862
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Echinococcus granulosus ryanodine receptor 44f 0.0129 0.545 0.6826
Echinococcus granulosus ryanodine receptor 44f 0.0166 0.765 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.011 0.4304 0.3862
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.011 0.4304 0.3862
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.011 0.4304 0.7897
Loa Loa (eye worm) ryanodine receptor 0.0048 0.0565 0.1036
Loa Loa (eye worm) ACC-1 protein 0.011 0.4304 0.7897
Brugia malayi Cation transporter family protein 0.011 0.4304 0.3862
Echinococcus granulosus glycine receptor subunit beta 0.011 0.4304 0.5172
Onchocerca volvulus 0.011 0.4304 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.011 0.4304 0.3878
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.011 0.4304 0.5172
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0051 0.0719 0.1319
Echinococcus multilocularis glycine receptor subunit alpha 1 0.011 0.4304 0.5172
Schistosoma mansoni nAChR subunit 0.011 0.4304 0.3878
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0059 0.1234 0.0555
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.0129 0.545 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.011 0.4304 0.7897
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319
Echinococcus multilocularis glycine receptor subunit beta 0.011 0.4304 0.5172
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2265
Loa Loa (eye worm) hypothetical protein 0.011 0.4304 0.7897
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0074 0.2103 0.5
Echinococcus multilocularis nAChR subunit 0.0059 0.1234 0.0743
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0059 0.1234 0.0555
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.011 0.4304 0.5172
Loa Loa (eye worm) hypothetical protein 0.0051 0.0719 0.1319

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.42 uM Activation of ryanodine receptor in sixth-instar larvae of Spodoptera litura muscle membrane assessed as induction of Ca2+ pump after 30 min ChEMBL. No reference

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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