Detailed information for compound 77472

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 283.451 | Formula: C20H29N
  • H donors: 0 H acceptors: 0 LogP: 5.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C12CCN(C(C1)Cc1c2cccc1)CC1CC1)(C)C
  • InChi: 1S/C20H29N/c1-19(2,3)20-10-11-21(14-15-8-9-15)17(13-20)12-16-6-4-5-7-18(16)20/h4-7,15,17H,8-14H2,1-3H3
  • InChiKey: FZTPAWLBORQFFY-UHFFFAOYSA-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
Onchocerca volvulus 0.0072 0.065 0.0644
Echinococcus granulosus acetylcholinesterase 0.0201 0.2879 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0034 0.0007 0.5
Echinococcus multilocularis acetylcholinesterase 0.0201 0.2879 1
Plasmodium vivax cytochrome c, putative 0.01 0.1131 0.4893
Loa Loa (eye worm) acetylcholinesterase 1 0.0201 0.2879 0.5368
Mycobacterium ulcerans carboxylesterase, LipT 0.0034 0.0007 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0168 0.2312 1
Brugia malayi Carboxylesterase family protein 0.0201 0.2879 0.4044
Echinococcus granulosus acetylcholinesterase 0.0201 0.2879 1
Brugia malayi STAT protein, DNA binding domain containing protein 0.0346 0.5358 0.7533
Loa Loa (eye worm) STAT protein 0.0346 0.5358 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0168 0.2312 1
Echinococcus granulosus cytochrome c 0.01 0.1131 0.3914
Echinococcus multilocularis cytochrome c 0.01 0.1131 0.3914
Echinococcus multilocularis carboxylesterase 5A 0.0201 0.2879 1
Brugia malayi Carboxylesterase family protein 0.0201 0.2879 0.4044
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0072 0.065 0.1203
Loa Loa (eye worm) hypothetical protein 0.0201 0.2879 0.5368
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0034 0.0007 0.5
Toxoplasma gondii cytochrome c, putative 0.01 0.1131 0.4893
Schistosoma mansoni cytochrome c 0.01 0.1131 0.3914
Giardia lamblia Telomerase catalytic subunit 0.0168 0.2312 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.0168 0.2312 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0034 0.0007 0.5
Trypanosoma brucei telomerase reverse transcriptase 0.0168 0.2312 1
Plasmodium falciparum telomerase reverse transcriptase 0.0168 0.2312 1
Echinococcus granulosus carboxylesterase 5A 0.0201 0.2879 1
Brugia malayi Cytochrome c type-1 0.01 0.1131 0.1583
Loa Loa (eye worm) hypothetical protein 0.0201 0.2879 0.5368
Leishmania major telomerase reverse transcriptase, putative 0.0168 0.2312 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0168 0.2312 1
Wolbachia endosymbiont of Brugia malayi cytochrome c2 0.01 0.1131 0.5
Mycobacterium leprae Probable Ubiquinol-cytochrome C reductase QcrC (cytochrome C subunit) 0.0034 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0201 0.2879 0.5368
Brugia malayi Telomerase reverse transcriptase 0.0448 0.7111 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.0072 0.065 0.0906
Schistosoma mansoni hypothetical protein 0.0072 0.065 0.2241
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0201 0.2879 1
Loa Loa (eye worm) cytochrome c type-1 0.01 0.1131 0.2101
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0034 0.0007 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0034 0.0007 0.5
Plasmodium falciparum cytochrome c, putative 0.01 0.1131 0.4893
Echinococcus multilocularis acetylcholinesterase 0.0201 0.2879 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) 0 mg kg-1 Compound was evaluated for analgesic activity using mouse hot-plate test, at the dose 20 mg/kg; Inactive ChEMBL. 3746823

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.