Detailed information for compound 825756

Basic information

Technical information
  • TDR Targets ID: 825756
  • Name: N-[4-(diethylsulfamoyl)phenyl]-3-[3-(1-methyl -3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol -5-yl]propanamide
  • MW: 447.551 | Formula: C21H29N5O4S
  • H donors: 1 H acceptors: 5 LogP: 1.37 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(cc1)NC(=O)CCc1onc(n1)C1=CCN(CC1)C)CC
  • InChi: 1S/C21H29N5O4S/c1-4-26(5-2)31(28,29)18-8-6-17(7-9-18)22-19(27)10-11-20-23-21(24-30-20)16-12-14-25(3)15-13-16/h6-9,12H,4-5,10-11,13-15H2,1-3H3,(H,22,27)
  • InChiKey: UIVMYWKUVCBIQI-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[4-(diethylsulfamoyl)phenyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propionamide

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
Schistosoma mansoni nAChR subunit 0.0127 0.1031 0.9002
Loa Loa (eye worm) cytochrome P450 family protein 0.0232 0.2739 0.2739
Onchocerca volvulus 0.0068 0.0078 0.0755
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0127 0.1031 0.9002
Loa Loa (eye worm) CYP4Cod1 0.0232 0.2739 0.2739
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1031 0.1031
Loa Loa (eye worm) hypothetical protein 0.0068 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0134 0.1137 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0127 0.1031 0.1031
Echinococcus multilocularis 0.011 0.0758 0.6421
Schistosoma mansoni nAChR subunit 0.0127 0.1031 0.9002
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0127 0.1031 0.9002
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0127 0.1031 0.1031
Trypanosoma cruzi cytochrome P450, putative 0.0232 0.2739 1
Echinococcus multilocularis glycine receptor subunit beta 0.0127 0.1031 0.9002
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1031 0.1031
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0127 0.1031 0.9002
Onchocerca volvulus Putative nachr subunit 0.0127 0.1031 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1031 0.1031
Onchocerca volvulus 0.0111 0.0771 0.7475
Onchocerca volvulus 0.0111 0.0771 0.7475
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0127 0.1031 0.9002
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Loa Loa (eye worm) cytochrome P450 family protein 0.0397 0.5424 0.5424
Onchocerca volvulus 0.0111 0.0771 0.7475
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0134 0.1137 1
Trypanosoma cruzi cytochrome P450, putative 0.0232 0.2739 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0111 0.0771 0.0771
Onchocerca volvulus 0.0127 0.1031 1
Onchocerca volvulus 0.0111 0.0771 0.7475
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0127 0.1031 0.9002
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0127 0.1031 0.1031
Toxoplasma gondii cytochrome p450 superfamily protein 0.011 0.0758 0.5
Onchocerca volvulus 0.0127 0.1031 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0127 0.1031 0.1031
Brugia malayi Cytochrome P450 family protein 0.0232 0.2739 0.2739
Echinococcus granulosus glycine receptor subunit beta 0.0127 0.1031 0.9002
Onchocerca volvulus 0.0127 0.1031 1
Echinococcus granulosus cytochrome P450 2K1 0.011 0.0758 0.6421
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0068 0.0078 0.0078
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0127 0.1031 0.1031
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0127 0.1031 0.9002
Loa Loa (eye worm) hypothetical protein 0.0678 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0078 0.0078
Onchocerca volvulus 0.0111 0.0771 0.7475
Echinococcus granulosus glycine receptor subunit alpha 1 0.0127 0.1031 0.9002
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0336 0.4432 1
Onchocerca volvulus 0.0127 0.1031 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0068 0.0078 0.0078
Loa Loa (eye worm) LGC-31 protein 0.0127 0.1031 0.1031
Onchocerca volvulus 0.0127 0.1031 1
Loa Loa (eye worm) ACC-1 protein 0.0127 0.1031 0.1031
Brugia malayi Cytochrome P450 family protein 0.0397 0.5424 0.5424
Echinococcus multilocularis glycine receptor subunit beta 0.0127 0.1031 0.9002
Trypanosoma brucei cytochrome P450, putative 0.0232 0.2739 1
Onchocerca volvulus 0.0127 0.1031 1
Brugia malayi Cation transporter family protein 0.0127 0.1031 0.1031
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0127 0.1031 0.1031
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0111 0.0771 0.0771
Schistosoma mansoni cytochrome P450 0.011 0.0758 0.6421
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0127 0.1031 0.9002
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0068 0.0078 0.0078
Loa Loa (eye worm) GABA receptor subunit 0.0068 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0336 0.4432 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Mycobacterium leprae Conserved hypothetical protein 0.011 0.0758 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0127 0.1031 0.9002
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0127 0.1031 0.9002
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0127 0.1031 0.9002
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Schistosoma mansoni lipoxygenase 0.0134 0.1137 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0127 0.1031 0.9002
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0127 0.1031 0.9002
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0232 0.2739 0.5392
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0127 0.1031 0.1031
Echinococcus granulosus glycine receptor subunit beta 0.0127 0.1031 0.9002
Loa Loa (eye worm) ACC-1 protein 0.0127 0.1031 0.1031
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0111 0.0771 0.0771
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1031 0.1031
Schistosoma mansoni nAChR subunit 0.0127 0.1031 0.9002
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0127 0.1031 0.1031
Onchocerca volvulus 0.0111 0.0771 0.7475
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Entamoeba histolytica hypothetical protein 0.0068 0.0078 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0127 0.1031 0.1031
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0127 0.1031 0.9002
Schistosoma mansoni lipoxygenase 0.0093 0.0483 0.3827
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0127 0.1031 0.1031
Echinococcus granulosus glycine receptor subunit alpha 1 0.0127 0.1031 0.9002
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0068 0.0078 0.0078
Brugia malayi Cytochrome P450 family protein 0.0232 0.2739 0.2739
Loa Loa (eye worm) hypothetical protein 0.0068 0.0078 0.0078
Echinococcus multilocularis nAChR subunit 0.0127 0.1031 0.9002
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0127 0.1031 0.9002
Schistosoma mansoni hypothetical protein 0.011 0.0758 0.6421
Loa Loa (eye worm) hypothetical protein 0.0068 0.0078 0.0078
Brugia malayi cytochrome P450 0.011 0.0758 0.0758
Loa Loa (eye worm) hypothetical protein 0.0068 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0127 0.1031 0.9002
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0127 0.1031 0.1031
Schistosoma mansoni nAChR subunit 0.0127 0.1031 0.9002
Brugia malayi Cytochrome P450 family protein 0.011 0.0758 0.0758
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0127 0.1031 0.9002
Loa Loa (eye worm) cytochrome P450 family protein 0.0232 0.2739 0.2739
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0127 0.1031 0.1031
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0127 0.1031 0.9002
Echinococcus granulosus glycine receptor subunit alpha 1 0.0127 0.1031 0.9002
Schistosoma mansoni nAChR subunit 0.0127 0.1031 0.9002
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0127 0.1031 0.9002
Loa Loa (eye worm) cytochrome P450 0.011 0.0758 0.0758
Onchocerca volvulus 0.0111 0.0771 0.7475
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Echinococcus granulosus nAChR subunit 0.0127 0.1031 0.9002
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0127 0.1031 0.1031
Schistosoma mansoni nAChR subunit 0.0127 0.1031 0.9002
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0127 0.1031 0.9002
Loa Loa (eye worm) hypothetical protein 0.0122 0.0946 0.0946
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0127 0.1031 0.9002
Loa Loa (eye worm) hypothetical protein 0.0111 0.0771 0.0771
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0127 0.1031 0.9002
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0127 0.1031 0.1031
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0127 0.1031 0.9002
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0127 0.1031 0.9002
Onchocerca volvulus 0.0111 0.0771 0.7475
Onchocerca volvulus 0.0068 0.0078 0.0755
Brugia malayi excitatory GABA receptor EXP-1A 0.0127 0.1031 0.1031
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1031 0.1031
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Mycobacterium leprae putative cytochrome p450 0.011 0.0758 0.5
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Schistosoma mansoni nAChR subunit 0.0127 0.1031 0.9002
Leishmania major cytochrome p450-like protein 0.0232 0.2739 1
Loa Loa (eye worm) hypothetical protein 0.062 0.9047 0.9047
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0127 0.1031 0.9002
Brugia malayi Cation transporter family protein 0.0127 0.1031 0.1031
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0312 0.4047 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.1031 0.1031
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0127 0.1031 0.1031
Loa Loa (eye worm) hypothetical protein 0.0068 0.0078 0.0078
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0127 0.1031 0.1031
Brugia malayi Cation transporter family protein 0.0127 0.1031 0.1031
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0111 0.0771 0.0771
Loa Loa (eye worm) hypothetical protein 0.0068 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0068 0.0078 0.0078

Activities

No activities found for this compound.

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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