Detailed information for compound 1381449

Basic information

Technical information
  • TDR Targets ID: 1381449
  • Name: MLS000094489
  • MW: 284.313 | Formula: C15H16N4O2
  • H donors: 1 H acceptors: 2 LogP: 0.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)c1cc2c(n1C)nc1n(c2=O)cccc1C
  • InChi: 1S/C15H16N4O2/c1-4-16-14(20)11-8-10-13(18(11)3)17-12-9(2)6-5-7-19(12)15(10)21/h5-8H,4H2,1-3H3,(H,16,20)
  • InChiKey: MXTUWUZLZVEUDX-UHFFFAOYSA-N  

Network

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Synonyms

  • N-ethyl-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
  • SMR000030050
  • ZINC02917273
  • T5434193

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis lamin dm0 0.0033 0.2676 0.2463
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 1 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.2676 0.2463
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7568 0.7568
Onchocerca volvulus 0.0033 0.2676 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.4196 0.5026
Loa Loa (eye worm) intermediate filament protein 0.0033 0.2676 0.3206
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0284 0.0284
Echinococcus granulosus lamin dm0 0.0033 0.2676 0.2463
Schistosoma mansoni lamin 0.0033 0.2676 0.2463
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.2676 0.2676
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 1 1
Schistosoma mansoni lamin 0.0033 0.2676 0.2463
Loa Loa (eye worm) hypothetical protein 0.0019 0.0284 0.034
Onchocerca volvulus 0.0033 0.2676 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0074 1 0.5
Echinococcus granulosus lamin 0.0033 0.2676 0.2463
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.2676 0.3206
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4196 0.4196
Echinococcus multilocularis musashi 0.0033 0.2676 0.2463
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 1 0.5
Brugia malayi intermediate filament protein 0.0033 0.2676 0.2676
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.8349 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0074 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.2571 0.3079
Schistosoma mansoni intermediate filament proteins 0.0033 0.2676 0.2463
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0074 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.4196 0.4027
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.006 0.7568 0.9065
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0284 0.034
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7568 0.7568
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7568 0.9065
Echinococcus multilocularis lamin 0.0033 0.2676 0.2463
Loa Loa (eye worm) hypothetical protein 0.0033 0.2676 0.3206

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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