Detailed information for compound 230030

Basic information

Technical information
  • TDR Targets ID: 230030
  • Name: (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylide ne)-N-methylacetamide
  • MW: 256.128 | Formula: C12H11Cl2NO
  • H donors: 1 H acceptors: 1 LogP: 2.8 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)/C=C/1\CCc2c1cc(Cl)cc2Cl
  • InChi: 1S/C12H11Cl2NO/c1-15-12(16)4-7-2-3-9-10(7)5-8(13)6-11(9)14/h4-6H,2-3H2,1H3,(H,15,16)/b7-4+
  • InChiKey: OROCYFQTFMAKDY-QPJJXVBHSA-N  

Network

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Synonyms

  • (2E)-2-(4,6-dichloroindan-1-ylidene)-N-methyl-acetamide
  • (2E)-2-(4,6-dichloro-1-indanylidene)-N-methylacetamide
  • (2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)-N-methyl-ethanamide

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) hypothetical protein 0.0159 0.1344 0.1344
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Echinococcus granulosus glycine receptor subunit beta 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0159 0.1344 0.1344
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0294 0.9347 0.9347
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0294 0.9347 0.9347
Brugia malayi serine/threonine kinase 12 0.0175 0.2303 0.2303
Loa Loa (eye worm) hypothetical protein 0.0159 0.1344 0.1344
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0294 0.9347 0.9347
Echinococcus granulosus glycine receptor subunit alpha 1 0.0294 0.9347 0.9347
Loa Loa (eye worm) dihydrofolate reductase 0.0305 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0294 0.9347 0.9347
Echinococcus granulosus glycine receptor subunit beta 0.0294 0.9347 0.9347
Trypanosoma brucei aurora B kinase 0.0175 0.2303 0.5
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Echinococcus multilocularis nAChR subunit 0.0159 0.1344 0.1344
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0159 0.1344 0.1344
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0294 0.9347 0.9347
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0305 1 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0294 0.9347 0.9347
Entamoeba histolytica protein kinase, putative 0.0175 0.2303 1
Echinococcus multilocularis dihydrofolate reductase 0.0305 1 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0175 0.2303 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0294 0.9347 0.9347
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0294 0.9347 0.9347
Trichomonas vaginalis AGC family protein kinase 0.0175 0.2303 0.5
Echinococcus granulosus nAChR subunit 0.0159 0.1344 0.1344
Echinococcus granulosus aurora kinase A 0.0175 0.2303 0.2303
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0294 0.9347 0.9347
Schistosoma mansoni nAChR subunit 0.0294 0.9347 0.9347
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0294 0.9347 0.9347
Echinococcus multilocularis glycine receptor subunit beta 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Echinococcus granulosus dihydrofolate reductase 0.0305 1 1
Trypanosoma cruzi aurora B kinase, putative 0.0175 0.2303 0.5
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Toxoplasma gondii aurora kinase 0.0175 0.2303 0.5
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0159 0.1344 0.1344
Loa Loa (eye worm) AUR protein kinase 0.0175 0.2303 0.2303
Chlamydia trachomatis dihydrofolate reductase 0.0305 1 0.5
Entamoeba histolytica protein kinase, putative 0.0175 0.2303 1
Onchocerca volvulus 0.0294 0.9347 1
Entamoeba histolytica protein kinase domain containing protein 0.0175 0.2303 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0294 0.9347 0.9347
Schistosoma mansoni nAChR subunit 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Onchocerca volvulus 0.0159 0.1344 0.1438
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0159 0.1344 0.1344
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0159 0.1344 0.1344
Schistosoma mansoni protein kinase 0.0175 0.2303 0.2303
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Schistosoma mansoni nAChR subunit 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Brugia malayi serine/threonine-protein kinase 6 0.0175 0.2303 0.2303
Schistosoma mansoni nAChR subunit 0.0294 0.9347 0.9347
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0175 0.2303 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0294 0.9347 0.9347
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0175 0.2303 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0294 0.9347 0.9347
Onchocerca volvulus 0.0294 0.9347 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0294 0.9347 0.9347
Brugia malayi serine/threonine protein kinase 6 0.0175 0.2303 0.2303
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0294 0.9347 0.9347
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0294 0.9347 0.9347
Loa Loa (eye worm) ACC-1 protein 0.0294 0.9347 0.9347
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Onchocerca volvulus 0.0294 0.9347 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0294 0.9347 0.9347
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0159 0.1344 0.1344
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0294 0.9347 0.9347
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0159 0.1344 0.1344
Schistosoma mansoni serine/threonine protein kinase 0.0175 0.2303 0.2303
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0294 0.9347 0.9347
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0294 0.9347 0.9347
Loa Loa (eye worm) AUR protein kinase 0.0175 0.2303 0.2303
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0305 1 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0294 0.9347 0.9347
Brugia malayi Cation transporter family protein 0.0294 0.9347 0.9347
Plasmodium falciparum serine/threonine protein kinase, putative 0.0175 0.2303 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0294 0.9347 0.9347
Loa Loa (eye worm) LGC-31 protein 0.0294 0.9347 0.9347
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0294 0.9347 0.9347
Loa Loa (eye worm) AUR protein kinase 0.0175 0.2303 0.2303
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0294 0.9347 0.9347
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0159 0.1344 0.1344
Brugia malayi Dihydrofolate reductase 0.0305 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0294 0.9347 0.9347
Leishmania major protein kinase, putative 0.0175 0.2303 0.5
Entamoeba histolytica protein kinase , putative 0.0175 0.2303 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0175 0.2303 0.2303
Onchocerca volvulus 0.0294 0.9347 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0294 0.9347 0.9347
Onchocerca volvulus 0.0159 0.1344 0.1438
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0294 0.9347 0.9347
Giardia lamblia Aurora kinase 0.0175 0.2303 0.5
Echinococcus multilocularis nAChR subunit 0.0294 0.9347 0.9347
Onchocerca volvulus Putative nachr subunit 0.0294 0.9347 1
Trichomonas vaginalis AGC family protein kinase 0.0175 0.2303 0.5
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0294 0.9347 0.9347
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0294 0.9347 0.9347
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0294 0.9347 0.9347
Schistosoma mansoni neurotransmitter gated ion channel 0.0159 0.1344 0.1344
Schistosoma mansoni nAChR subunit 0.0294 0.9347 0.9347
Brugia malayi Cation transporter family protein 0.0294 0.9347 0.9347
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0175 0.2303 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0294 0.9347 0.9347
Trichomonas vaginalis AGC family protein kinase 0.0175 0.2303 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0294 0.9347 0.9347
Schistosoma mansoni nAChR subunit 0.0294 0.9347 0.9347
Onchocerca volvulus 0.0294 0.9347 1
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0294 0.9347 0.9347
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0294 0.9347 0.9347
Echinococcus granulosus nAChR subunit 0.0294 0.9347 0.9347
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0159 0.1344 0.1344
Loa Loa (eye worm) hypothetical protein 0.0159 0.1344 0.1344
Echinococcus multilocularis aurora kinase A 0.0175 0.2303 0.2303
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0159 0.1344 0.1344
Loa Loa (eye worm) hypothetical protein 0.0159 0.1344 0.1344
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0305 1 0.5
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0294 0.9347 0.9347
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0294 0.9347 0.9347
Schistosoma mansoni dihydrofolate reductase 0.0305 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0294 0.9347 0.9347
Trichomonas vaginalis AGC family protein kinase 0.0175 0.2303 0.5
Schistosoma mansoni nAChR subunit 0.0294 0.9347 0.9347
Loa Loa (eye worm) ACC-1 protein 0.0294 0.9347 0.9347
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0294 0.9347 0.9347
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0294 0.9347 0.9347
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0294 0.9347 0.9347
Loa Loa (eye worm) hypothetical protein 0.0159 0.1344 0.1344
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0294 0.9347 0.9347
Loa Loa (eye worm) GABA receptor subunit 0.0159 0.1344 0.1344
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0294 0.9347 0.9347
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0175 0.2303 0.2303
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0294 0.9347 0.9347
Onchocerca volvulus 0.0294 0.9347 1
Brugia malayi Cation transporter family protein 0.0294 0.9347 0.9347
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0294 0.9347 0.9347

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 83 mg kg-1 Percent inhibition of muscle relaxant profile evaluated by straub tail assay when administered intraperitoneally at 100 mg/kg in mouse ChEMBL. 12540240
ED50 (functional) = 83 mg kg-1 Percent inhibition of muscle relaxant profile evaluated by straub tail assay when administered intraperitoneally at 100 mg/kg in mouse ChEMBL. 12540240
ED50 (functional) > 100 mg kg-1 Effective dose required for muscle relaxant profile evaluated by straub tail assay when administered perorally in mouse ChEMBL. 12540240
ED50 (functional) > 100 mg kg-1 Effective dose required for muscle relaxant profile evaluated by straub tail assay when administered perorally in mouse ChEMBL. 12540240
Inhibition (functional) = 9 % Antiinflammatory activity against 3h carragenaan pleurisy (cells) in rat at 20 mg/kg peroral administration ChEMBL. 12540240
Inhibition (functional) = 12 % Percent inhibition of analgesia activity when administered perorally at 20 mg/kg in rat ChEMBL. 12540240
Inhibition (functional) = 34 % Antiinflammatory activity against 3h carragenaan pleurisy (edma) in rat at 20 mg/kg peroral administration ChEMBL. 12540240
ND (functional) 0 Effective dose required for muscle relaxant profile in mouse by rotorod assay, when compound administered perorally ; ND is activity not determined. ChEMBL. 12540240
ND (functional) 0 Ratio of rotorod to that of staub tail; ND is activity not determined. ChEMBL. 12540240
ND (functional) 0 Inhibition of trypsin hyperalgesia when administered perorally in rat; ND is activity not determined. ChEMBL. 12540240

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

1 literature reference was collected for this gene.

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