Detailed information for compound 162492

Basic information

Technical information
  • TDR Targets ID: 162492
  • Name: 4,4a,5,6-tetrahydropyrido[1,2-a]quinolin-3-on e
  • MW: 199.248 | Formula: C13H13NO
  • H donors: 0 H acceptors: 1 LogP: 2.12 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C=CN2C(C1)CCc1c2cccc1
  • InChi: 1S/C13H13NO/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-8,11H,5-6,9H2
  • InChiKey: LNTWPSKEEYNUKK-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens steroid-5-alpha-reductase, alpha polypeptide 1 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 1) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania mexicana 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma brucei gambiense 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania donovani 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania braziliensis 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Entamoeba histolytica steroid 5-alpha reductase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania infantum 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Get druggable targets OG5_128852 All targets in OG5_128852
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase Get druggable targets OG5_128852 All targets in OG5_128852

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative steroid-5-alpha-reductase, alpha polypeptide 1 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 1) 259 aa 254 aa 25.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus biogenic amine 5HT receptor 0.0126 0.0134 0.0222
Echinococcus multilocularis serotonin receptor 0.0126 0.0134 0.176
Echinococcus multilocularis nmda type glutamate receptor 0.0188 0.0448 0.5883
Brugia malayi ERG2 and Sigma1 receptor like protein 0.11 0.5038 1
Schistosoma mansoni glutamate receptor NMDA 0.0287 0.0946 1
Echinococcus multilocularis glutamate receptor NMDA 0.0164 0.0328 0.431
Loa Loa (eye worm) hypothetical protein 0.11 0.5038 1
Echinococcus multilocularis serotonin receptor 0.0126 0.0134 0.176
Echinococcus multilocularis nmda type glutamate receptor 0.025 0.0761 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0214 0.0578 0.7155
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.0571 0.1133
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0123 0.012 0.1573
Echinococcus granulosus glutamate receptor NMDA 0.0164 0.0328 0.3248
Wolbachia endosymbiont of Brugia malayi DNA-directed RNA polymerase subunit beta/beta' 0.2086 1 0.5
Treponema pallidum DNA-directed RNA polymerase subunit beta 0.2086 1 0.5
Mycobacterium leprae DNA-DIRECTED RNA POLYMERASE (BETA CHAIN) RPOB (TRANSCRIPTASE BETA CHAIN) (RNA POLYMERASE BETA SUBUNIT) 0.2086 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0123 0.012 0.1573
Echinococcus granulosus nmda type glutamate receptor 0.025 0.0761 1
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0189 0.0451 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0123 0.012 0.1573
Leishmania major C-8 sterol isomerase-like protein 0.11 0.5038 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0126 0.0134 0.1415
Brugia malayi Pre-SET motif family protein 0.0212 0.0571 0.1133
Schistosoma mansoni glutamate receptor NMDA 0.0214 0.0578 0.6114
Onchocerca volvulus 0.0242 0.0719 0.5
Loa Loa (eye worm) hypothetical protein 0.0189 0.0451 0.0896
Loa Loa (eye worm) hypothetical protein 0.0126 0.0134 0.0266
Trypanosoma cruzi C-8 sterol isomerase, putative 0.11 0.5038 1
Echinococcus multilocularis glutamate receptor 2 0.0123 0.012 0.1573
Trichomonas vaginalis set domain proteins, putative 0.0242 0.0719 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.0134 0.0266
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0123 0.012 0.1573
Mycobacterium ulcerans DNA-directed RNA polymerase subunit beta 0.2086 1 1
Plasmodium falciparum DNA-directed RNA polymerase subunit beta, putative 0.2086 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0562 0.2332 0.4628
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0214 0.0578 0.7602
Trypanosoma brucei C-8 sterol isomerase, putative 0.11 0.5038 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0189 0.0451 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0188 0.0448 0.5115
Mycobacterium tuberculosis DNA-directed RNA polymerase (beta chain) RpoB (transcriptase beta chain) (RNA polymerase beta subunit) 0.2086 1 0.5
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0189 0.0451 0.0896

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) nM Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2 from human prostate homogenates; No inhibition ChEMBL. 9873639
IC50 (binding) 0 nM Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2 from human prostate homogenates; No inhibition ChEMBL. 9873639
IC50 (binding) = 5130 nM Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1 from recombinant CHO cells ChEMBL. 9873639
IC50 (binding) = 5130 nM Inhibition of human Steroid 5-alpha-reductase type I ChEMBL. 10714498
IC50 (binding) = 5130 nM Inhibition of recombinant steroid 5-alpha-reductase type I expressed in CHO cells ChEMBL. 11020287
IC50 (binding) = 5130 nM Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1 from recombinant CHO cells ChEMBL. 9873639
IC50 (binding) = 5130 nM Inhibition of human Steroid 5-alpha-reductase type I ChEMBL. 10714498
IC50 (binding) = 5130 nM Inhibition of recombinant steroid 5-alpha-reductase type I expressed in CHO cells ChEMBL. 11020287

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

3 literature references were collected for this gene.

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