Detailed information for compound 173185

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 254.284 | Formula: C15H14N2O2
  • H donors: 0 H acceptors: 2 LogP: 1.35 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)C(=CC(O2)(C)C)N1CCC1=O
  • InChi: 1S/C15H14N2O2/c1-15(2)8-12(17-6-5-14(17)18)11-7-10(9-16)3-4-13(11)19-15/h3-4,7-8H,5-6H2,1-2H3
  • InChiKey: KQOWSDXFZZHXDC-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
Loa Loa (eye worm) hypothetical protein 0.0145 0.1389 0.5487
Plasmodium vivax hypothetical protein, conserved 0.0257 0.2532 0.5
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0035 0.0139
Loa Loa (eye worm) hypothetical protein 0.0091 0.0844 0.3335
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0091 0.0844 0.0828
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.031 0.1161
Trypanosoma cruzi hypothetical protein, conserved 0.0091 0.0844 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0071
Loa Loa (eye worm) hypothetical protein 0.0091 0.0844 0.3335
Schistosoma mansoni zinc finger protein 0.0091 0.0844 0.3287
Schistosoma mansoni TRABID protein (C64 family) 0.0091 0.0844 0.3287
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0091 0.0844 0.0828
Echinococcus multilocularis ring and YY1 binding protein 0.0091 0.0844 0.0828
Loa Loa (eye worm) hypothetical protein 0.0091 0.0844 0.3335
Brugia malayi Cytochrome P450 family protein 0.0012 0.0035 0.0069
Brugia malayi YY1-associated factor 2 0.0091 0.0844 0.3287
Trypanosoma cruzi hypothetical protein, conserved 0.0091 0.0844 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0035 0.0139
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0091 0.0844 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0276 0.1028
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0091 0.0844 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0091 0.0844 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0276 0.1092
Loa Loa (eye worm) hypothetical protein 0.0091 0.0844 0.3335
Echinococcus multilocularis zinc finger protein Ran binding 0.0091 0.0844 0.0828
Schistosoma mansoni hypothetical protein 0.0257 0.2532 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0091 0.0844 0.3287
Echinococcus multilocularis tumor protein p63 0.099 1 1
Schistosoma mansoni hypothetical protein 0.0257 0.2532 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0035 0.0139
Leishmania major hypothetical protein, conserved 0.0091 0.0844 1
Schistosoma mansoni brg-1 associated factor 0.0257 0.2532 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0257 0.2532 0.2518
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0091 0.0844 0.0828
Trypanosoma brucei hypothetical protein, conserved 0.0091 0.0844 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0257 0.2532 1
Echinococcus granulosus SWI:SNF matrix associated 0.0257 0.2532 0.2518
Trypanosoma cruzi hypothetical protein, conserved 0.0091 0.0844 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0257 0.2532 0.2518
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0257 0.2532 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0257 0.2532 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0091 0.0844 0.3287
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0276 0.0259
Leishmania major hypothetical protein, conserved 0.0091 0.0844 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0091 0.0844 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0035 0.0069
Trypanosoma brucei hypothetical protein, conserved 0.0091 0.0844 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0257 0.2532 1
Loa Loa (eye worm) brahma associated protein 0.0257 0.2532 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0091 0.0844 1
Leishmania major hypothetical protein, conserved 0.0091 0.0844 1
Schistosoma mansoni fusion 0.0091 0.0844 0.3287
Schistosoma mansoni cellular tumor antigen P53 0.0145 0.1389 0.5454
Echinococcus granulosus Zinc finger RanBP2 type 0.0091 0.0844 0.0828
Brugia malayi brahma associated protein 60 kDa 0.0257 0.2532 1
Schistosoma mansoni hypothetical protein 0.0091 0.0844 0.3287
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0276 0.0259
Loa Loa (eye worm) hypothetical protein 0.0031 0.0228 0.0902
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0091 0.0844 0.3287
Schistosoma mansoni hypothetical protein 0.0257 0.2532 1
Chlamydia trachomatis SWIB complex protein 0.0257 0.2532 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0257 0.2532 0.2518
Brugia malayi brahma associated protein 60 kDa 0.0257 0.2532 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0257 0.2532 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0257 0.2532 0.2518
Schistosoma mansoni RNA binding protein 0.0091 0.0844 0.3287
Leishmania major hypothetical protein, conserved 0.0091 0.0844 1
Onchocerca volvulus 0.0257 0.2532 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0257 0.2532 1
Onchocerca volvulus 0.0145 0.1389 0.3229
Trichomonas vaginalis conserved hypothetical protein 0.0257 0.2532 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0091 0.0844 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0091 0.0844 1
Echinococcus granulosus ring and YY1 binding protein 0.0091 0.0844 0.0828
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0257 0.2532 0.2518
Loa Loa (eye worm) hypothetical protein 0.0091 0.0844 0.3335
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0091 0.0844 0.3287
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0257 0.2532 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0091 0.0844 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0091 0.0844 1
Leishmania major hypothetical protein, conserved 0.0091 0.0844 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0035 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.031 0.1161
Chlamydia trachomatis DNA topoisomerase I 0.0257 0.2532 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.0091 0.0844 0.0828

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 7.5 uM Inhibition of spontaneous tone in Guinea pig tracheal spiral strips. ChEMBL. 2231602
Intrinsic activity (functional) = 0.91 Intrinsic activity measured on Guinea pig tracheal spiral strips. ChEMBL. 2231602

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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