Detailed information for compound 410284

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 480.04 | Formula: C32H30ClNO
  • H donors: 1 H acceptors: 0 LogP: 8.55 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cccc2c1CNc1c(cccc1C=C2COc1ccc(cc1)Cl)CCc1ccccc1
  • InChi: 1S/C32H30ClNO/c1-2-24-10-7-13-30-27(22-35-29-18-16-28(33)17-19-29)20-26-12-6-11-25(32(26)34-21-31(24)30)15-14-23-8-4-3-5-9-23/h3-13,16-20,34H,2,14-15,21-22H2,1H3/b27-20-
  • InChiKey: DXLUQMRNJSYCTE-OOAXWGSJSA-N  

Network

Hover on a compound node to display the structore

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 Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0203 0.4143 1
Toxoplasma gondii DNA topoisomerase I, putative 0.02 0.401 0.5
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Brugia malayi Cation transporter family protein 0.0203 0.4143 1
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0114 0.0379 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0203 0.4143 1
Onchocerca volvulus 0.0114 0.0379 0.0524
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0379 0.0914
Plasmodium falciparum topoisomerase I 0.02 0.401 0.5
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0114 0.0379 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.0379 0.0914
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0203 0.4143 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0203 0.4143 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0203 0.4143 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0203 0.4143 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0203 0.4143 1
Schistosoma mansoni nAChR subunit 0.0203 0.4143 1
Trichomonas vaginalis cdc25b, putative 0.0114 0.0379 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0411
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0114 0.0379 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0411
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0203 0.4143 1
Loa Loa (eye worm) LGC-31 protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0203 0.4143 1
Onchocerca volvulus 0.0203 0.4143 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0341 1 0.5
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0203 0.4143 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0203 0.4143 1
Schistosoma mansoni nAChR subunit 0.0203 0.4143 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0411
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0411
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0203 0.4143 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0203 0.4143 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0203 0.4143 1
Schistosoma mansoni nAChR subunit 0.0203 0.4143 1
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0114 0.0379 0.0524
Brugia malayi Rhodanese-like domain containing protein 0.0114 0.0379 0.0524
Schistosoma mansoni nAChR subunit 0.0203 0.4143 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0203 0.4143 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0203 0.4143 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0203 0.4143 1
Plasmodium vivax topoisomerase I, putative 0.02 0.401 0.5
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0411
Onchocerca volvulus 0.0114 0.0379 0.0524
Onchocerca volvulus 0.0114 0.0379 0.0524
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Schistosoma mansoni nAChR subunit 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Onchocerca volvulus 0.0203 0.4143 1
Loa Loa (eye worm) ACC-1 protein 0.0203 0.4143 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0203 0.4143 1
Loa Loa (eye worm) ACC-1 protein 0.0203 0.4143 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0203 0.4143 1
Echinococcus multilocularis nAChR subunit 0.0203 0.4143 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0203 0.4143 1
Schistosoma mansoni nAChR subunit 0.0203 0.4143 1
Brugia malayi DNA topoisomerase I 0.02 0.401 0.9665
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0203 0.4143 1
Onchocerca volvulus Putative nachr subunit 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Schistosoma mansoni nAChR subunit 0.0203 0.4143 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0203 0.4143 1
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0114 0.0379 0.0524
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0203 0.4143 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0203 0.4143 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0203 0.4143 1
Echinococcus granulosus glycine receptor subunit beta 0.0203 0.4143 1
Brugia malayi Cation transporter family protein 0.0203 0.4143 1
Echinococcus granulosus DNA topoisomerase 1 0.02 0.401 0.9665
Onchocerca volvulus 0.0114 0.0379 0.0524
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0203 0.4143 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0203 0.4143 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0114 0.0379 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0203 0.4143 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0203 0.4143 1
Echinococcus granulosus nAChR subunit 0.0203 0.4143 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0203 0.4143 1
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0114 0.0379 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0203 0.4143 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0114 0.0379 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0203 0.4143 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0203 0.4143 1
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0149 0.1879 0.5
Onchocerca volvulus 0.0203 0.4143 1
Trichomonas vaginalis cdc25b, putative 0.0114 0.0379 0.5
Entamoeba histolytica rodhanase-like domain containing protein 0.0114 0.0379 1
Schistosoma mansoni DNA topoisomerase type I 0.0149 0.1879 0.4302
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Trichomonas vaginalis cdc25c, putative 0.0114 0.0379 0.5
Brugia malayi Rhodanese-like domain containing protein 0.0114 0.0379 0.0524
Echinococcus granulosus glycine receptor subunit alpha 1 0.0203 0.4143 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0203 0.4143 1
Loa Loa (eye worm) DNA topoisomerase I 0.02 0.401 0.9679
Loa Loa (eye worm) GABA receptor subunit 0.0109 0.017 0.0411
Onchocerca volvulus 0.0203 0.4143 1
Brugia malayi Cation transporter family protein 0.0203 0.4143 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0203 0.4143 1
Onchocerca volvulus 0.0203 0.4143 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0203 0.4143 1
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0149 0.1879 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0411
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0203 0.4143 1
Echinococcus multilocularis glycine receptor subunit beta 0.0203 0.4143 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0203 0.4143 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0203 0.4143 1
Echinococcus multilocularis DNA topoisomerase 1 0.02 0.401 0.9665
Schistosoma mansoni DNA topoisomerase type I 0.02 0.401 0.9665
Echinococcus granulosus glycine receptor subunit beta 0.0203 0.4143 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0203 0.4143 1
Schistosoma mansoni DNA topoisomerase type I 0.0149 0.1879 0.4302
Loa Loa (eye worm) hypothetical protein 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0411
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0203 0.4143 1
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0114 0.0379 0.0524
Brugia malayi excitatory GABA receptor EXP-1A 0.0203 0.4143 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0203 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0411
Leishmania major DNA topoisomerase IB, large subunit 0.0149 0.1879 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0203 0.4143 1
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0114 0.0379 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.017 0.0411
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0203 0.4143 1
Onchocerca volvulus 0.0203 0.4143 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0203 0.4143 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of PKA-mediated phosphorylation of kemptide at 100 uM ChEMBL. 16890431
Activity (binding) 0 Inhibition of PKC-mediated phosphorylation of neurogranin at 100 uM ChEMBL. 16890431

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.