Detailed information for compound 1472032

Basic information

Technical information
  • TDR Targets ID: 1472032
  • Name: N-(1-furan-2-ylethyl)-4-piperidin-1-ylsulfony l-N-pyridin-2-ylbenzamide
  • MW: 439.527 | Formula: C23H25N3O4S
  • H donors: 0 H acceptors: 4 LogP: 3.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C(c1ccco1)C)c1ccccn1)c1ccc(cc1)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C23H25N3O4S/c1-18(21-8-7-17-30-21)26(22-9-3-4-14-24-22)23(27)19-10-12-20(13-11-19)31(28,29)25-15-5-2-6-16-25/h3-4,7-14,17-18H,2,5-6,15-16H2,1H3
  • InChiKey: PLWMHUOIYTVFHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(2-furyl)ethyl]-4-(1-piperidylsulfonyl)-N-(2-pyridyl)benzamide
  • N-[1-(2-furyl)ethyl]-4-piperidinosulfonyl-N-(2-pyridyl)benzamide
  • N-(1-furan-2-ylethyl)-4-piperidin-1-ylsulfonyl-N-pyridin-2-yl-benzamide
  • MLS000864128
  • MLS001074815
  • MLS000098325
  • SMR000062431
  • T0514-6593

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis scully CG7113-PA 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 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
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.5242 1
Brugia malayi MH1 domain containing protein 0.0009 0.0316 0.0316
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.5122 0.5122
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0316 0.0316
Brugia malayi MH1 domain containing protein 0.0009 0.0316 0.0316
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.5242 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5122 0.9758
Echinococcus multilocularis tar DNA binding protein 0.0072 0.5122 0.9758
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.5242 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.5242 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.5242 0.5
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5122 0.9758
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.5242 1
Brugia malayi Smad1 0.0009 0.0316 0.0316
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5122 0.9758
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.5242 1
Brugia malayi MH2 domain containing protein 0.0009 0.0316 0.0316
Brugia malayi RNA binding protein 0.0072 0.5122 0.5122
Brugia malayi MH2 domain containing protein 0.0009 0.0316 0.0316
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.5242 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.4572 0.4572
Loa Loa (eye worm) transcription factor SMAD2 0.0135 1 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.493 0.9368
Loa Loa (eye worm) Smad1 0.0009 0.0316 0.0316
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.493 0.493
Loa Loa (eye worm) TAR-binding protein 0.0072 0.5122 0.5122
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5122 0.9758
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.493 0.9368
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5122 0.9758
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.5242 1
Loa Loa (eye worm) RNA binding protein 0.0072 0.5122 0.5122
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0316 0.0316
Brugia malayi TAR-binding protein 0.0072 0.5122 0.5122
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.493 0.9368
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.5242 1
Echinococcus granulosus tar DNA binding protein 0.0072 0.5122 0.9758
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.5122 0.5122

Activities

Activity type Activity value Assay description Source 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
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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