Detailed information for compound 116314

Basic information

Technical information
  • TDR Targets ID: 116314
  • Name: (6-bromoimidazo[1,2-a]pyridin-2-yl)-[4-[3-(di butylamino)propoxy]phenyl]methanone
  • MW: 486.444 | Formula: C25H32BrN3O2
  • H donors: 0 H acceptors: 2 LogP: 7 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1cn2c(n1)ccc(c2)Br
  • InChi: 1S/C25H32BrN3O2/c1-3-5-14-28(15-6-4-2)16-7-17-31-22-11-8-20(9-12-22)25(30)23-19-29-18-21(26)10-13-24(29)27-23/h8-13,18-19H,3-7,14-17H2,1-2H3
  • InChiKey: CVPYGDAYCKHONT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (6-bromo-2-imidazo[1,2-a]pyridinyl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone

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
Giardia lamblia NADH oxidase lateral transfer candidate 0.0048 0.1486 0.5
Trypanosoma brucei trypanothione reductase 0.0137 0.5731 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0048 0.1486 1
Echinococcus multilocularis nmda type glutamate receptor 0.0058 0.1962 0.1962
Echinococcus granulosus glutamate receptor 2 0.0024 0.0392 0.0392
Plasmodium vivax glutathione reductase, putative 0.0137 0.5731 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0048 0.1486 0.0639
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0058 0.1962 0.1962
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0024 0.0392 0.0392
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0048 0.1486 0.1486
Loa Loa (eye worm) hypothetical protein 0.0034 0.0825 0.0825
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0048 0.1486 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0048 0.1486 0.0639
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0228 1 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0024 0.0392 0.0392
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.1066 0.1066
Plasmodium falciparum thioredoxin reductase 0.0137 0.5731 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0024 0.0392 0.0392
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0048 0.1486 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0048 0.1486 1
Treponema pallidum NADH oxidase 0.0048 0.1486 1
Brugia malayi glutathione reductase 0.0137 0.5731 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0024 0.0392 0.0392
Trichomonas vaginalis mercuric reductase, putative 0.0048 0.1486 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.1235 0.1235
Echinococcus multilocularis thioredoxin glutathione reductase 0.0137 0.5731 0.5731
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0048 0.1486 0.0639
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0024 0.0392 0.0392
Brugia malayi hypothetical protein 0.0105 0.4184 0.7301
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0035 0.0888 0.155
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0024 0.0392 0.0392
Mycobacterium tuberculosis Probable oxidoreductase 0.0048 0.1486 0.0639
Brugia malayi Thioredoxin reductase 0.0137 0.5731 1
Echinococcus granulosus nmda type glutamate receptor 0.0058 0.1962 0.1962
Trypanosoma cruzi trypanothione reductase, putative 0.0137 0.5731 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.1066 0.1861
Echinococcus multilocularis glutamate receptor 2 0.0024 0.0392 0.0392
Loa Loa (eye worm) thioredoxin reductase 0.0137 0.5731 0.5731
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0035 0.0888 0.155
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.1066 0.1066
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0048 0.1486 0.1486
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.1066 0.1066
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0024 0.0392 0.0392
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0048 0.1486 0.1486
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0137 0.5731 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0137 0.5731 0.5731
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.1235 0.1235
Loa Loa (eye worm) glutathione reductase 0.0137 0.5731 0.5731
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0048 0.1486 0.2593
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0048 0.1486 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0048 0.1486 1
Schistosoma mansoni glutamate receptor NMDA 0.0024 0.0392 0.0392
Trichomonas vaginalis glutathione reductase, putative 0.0048 0.1486 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0228 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0048 0.1486 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0137 0.5731 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0228 1 1
Plasmodium falciparum glutathione reductase 0.0137 0.5731 1
Leishmania major trypanothione reductase 0.0137 0.5731 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0024 0.0392 0.0392
Toxoplasma gondii thioredoxin reductase 0.0137 0.5731 1

Activities

Activity type Activity value Assay description Source Reference
Concentration (functional) = 1 % Concentration causing local anesthetic activity in mice ChEMBL. 3184128
IC50 (binding) = 3 uM Inhibition of [3H]-nitrendipine binding to calcium channels in Rabbit cardiac muscle. ChEMBL. 3184128
Inhibition (functional) = 50 % Percent inhibition of calcium-dependent potassium-polarized smooth muscle contraction in canine trachea ChEMBL. 3184128

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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