Detailed information for compound 274915

Basic information

Technical information
  • TDR Targets ID: 274915
  • Name: 3-(2-piperidin-1-ylpropyl)-2,4-dihydro-1H-chr omeno[3,4-c]pyridin-5-one
  • MW: 326.433 | Formula: C20H26N2O2
  • H donors: 0 H acceptors: 1 LogP: 2.66 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N1CCCCC1)CN1CCc2c(C1)c(=O)oc1c2cccc1
  • InChi: 1S/C20H26N2O2/c1-15(22-10-5-2-6-11-22)13-21-12-9-16-17-7-3-4-8-19(17)24-20(23)18(16)14-21/h3-4,7-8,15H,2,5-6,9-14H2,1H3
  • InChiKey: CMWRBKMNZCDGIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-(1-piperidyl)propyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
  • 3-[2-(1-piperidyl)propyl]-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one
  • 3-(2-piperidinopropyl)-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

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 Carboxylesterase family protein 0.0071 0.2301 0.5078
Echinococcus multilocularis carboxylesterase 5A 0.0071 0.2301 0.3103
Plasmodium falciparum glutathione reductase 0.0113 0.453 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0071 0.2301 0.1845
Trypanosoma brucei guanine deaminase, putative 0.0136 0.5823 1
Echinococcus granulosus carboxylesterase 5A 0.0071 0.2301 0.3456
Entamoeba histolytica guanine deaminase, putative 0.0136 0.5823 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.4482 0.7172
Echinococcus granulosus acetylcholinesterase 0.0071 0.2301 0.3456
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.6029 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.4482 0.7172
Brugia malayi glutathione reductase 0.0113 0.453 1
Trypanosoma brucei trypanothione reductase 0.0113 0.453 0.7544
Schistosoma mansoni thyroid hormone receptor 0.0143 0.6172 0.5945
Loa Loa (eye worm) glutathione reductase 0.0113 0.453 1
Trypanosoma cruzi trypanothione reductase, putative 0.0113 0.453 0.7544
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0132 0.5598 0.8978
Trichomonas vaginalis guanine deaminase, putative 0.0136 0.5823 1
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase 0.0136 0.5823 1
Schistosoma mansoni thyroid hormone receptor 0.0143 0.6172 0.5945
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.6029 1
Trypanosoma cruzi guanine deaminase, putative 0.0136 0.5823 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.4482 0.7172
Trichomonas vaginalis protein ssnA, putative 0.0136 0.5823 1
Plasmodium vivax thioredoxin reductase, putative 0.0113 0.453 1
Mycobacterium tuberculosis Probable reductase 0.0112 0.4482 0.7172
Echinococcus multilocularis acetylcholinesterase 0.0071 0.2301 0.3103
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0039 0.0559 0.1234
Echinococcus multilocularis thioredoxin glutathione reductase 0.0113 0.453 0.7075
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0113 0.453 0.726
Loa Loa (eye worm) thioredoxin reductase 0.0113 0.453 1
Trypanosoma brucei guanine deaminase, putative 0.0136 0.5823 1
Brugia malayi Carboxylesterase family protein 0.0071 0.2301 0.5078
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0132 0.5598 1
Toxoplasma gondii thioredoxin reductase 0.0113 0.453 1
Trichomonas vaginalis protein ssnA, putative 0.0136 0.5823 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0039 0.0559 0.5
Treponema pallidum NADH oxidase 0.0039 0.0559 0.5
Schistosoma mansoni hypothetical protein 0.0132 0.5598 0.5338
Leishmania major guanine deaminase, putative 0.0136 0.5823 1
Plasmodium falciparum thioredoxin reductase 0.0113 0.453 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0039 0.0559 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.4482 0.7172
Echinococcus granulosus thioredoxin glutathione reductase 0.0113 0.453 0.788
Echinococcus multilocularis thyroid hormone receptor alpha 0.0143 0.6172 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0039 0.0559 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.6029 1
Brugia malayi Thioredoxin reductase 0.0113 0.453 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.4482 0.7172
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0039 0.0559 0.5
Plasmodium vivax glutathione reductase, putative 0.0113 0.453 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.6029 1
Echinococcus multilocularis acetylcholinesterase 0.0071 0.2301 0.3103
Leishmania major trypanothione reductase 0.0113 0.453 0.7544
Trypanosoma cruzi guanine deaminase, putative 0.0136 0.5823 1
Echinococcus granulosus acetylcholinesterase 0.0071 0.2301 0.3456

Activities

Activity type Activity value Assay description Source Reference
Collapse time (functional) = 10 min Methacholine challenge test was performed on guinea pigs by administration of compound at 25 mg/kg perorally ChEMBL. 2645403
ID50 (functional) = 38 ug kg-1 Compound dose for inhibiting dog cholinergic bronchoconstriction by 50% of control value. ChEMBL. 2645403
ID50 (functional) = 219 ug kg-1 Inhibition of dog salivation by 50% of control value. ChEMBL. 2645403
Ratio (functional) = 5.8 Pulmonary selectivity measured as the ratio of salivation and bronchospasm ChEMBL. 2645403

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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