Detailed information for compound 1370359

Basic information

Technical information
  • TDR Targets ID: 1370359
  • Name: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl ]phenyl]-4-(3-methylphenoxy)butanamide
  • MW: 443.516 | Formula: C22H25N3O5S
  • H donors: 2 H acceptors: 4 LogP: 3.49 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C)CCCOc1cccc(c1)C
  • InChi: 1S/C22H25N3O5S/c1-15-6-4-7-19(14-15)29-13-5-8-21(26)23-18-9-11-20(12-10-18)31(27,28)25-22-16(2)17(3)24-30-22/h4,6-7,9-12,14,25H,5,8,13H2,1-3H3,(H,23,26)
  • InChiKey: BTIXDEWCLGIGLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide
  • N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butanamide
  • N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-4-(3-methylphenoxy)butyramide
  • BAS 03311454
  • ST5191698
  • ZINC01773809
  • MLS000076538
  • N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-m-tolyloxy-butyramide
  • SMR000012193

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.1791 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.0667 0.1653
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.4033 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0069 0.0667 1
Loa Loa (eye worm) glutathione reductase 0.0038 0.0217 0.0339
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.0667 0.1653
Trichomonas vaginalis set domain proteins, putative 0.024 0.3202 0.794
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0069 0.0667 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0069 0.0667 0.0591
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0045 0.0316 0.062
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0069 0.0667 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0069 0.0667 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.2771 0.7568
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0069 0.0667 0.0591
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0421 0.116
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.1088 0.6074
Brugia malayi Pre-SET motif family protein 0.0211 0.2771 0.7633
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0069 0.0667 1
Echinococcus multilocularis microtubule associated protein 2 0.0699 1 1
Brugia malayi hypothetical protein 0.003 0.01 0.0275
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0069 0.0667 0.0945
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0097 0.0017
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4033 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0045 0.0315 0.3799
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0069 0.0667 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.0667 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0069 0.0667 1
Plasmodium falciparum thioredoxin reductase 0.0038 0.0217 0.2058
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0069 0.0667 0.0575
Giardia lamblia Fructose-bisphosphate aldolase 0.0296 0.4033 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.0667 0.1653
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0217 0.1206
Treponema pallidum fructose-bisphosphate aldolase 0.0296 0.4033 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.1088 0.6074
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0217 0.21
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.0943 0.5267
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0069 0.0667 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0421 0.0918
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.01 0.0053
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.0943 0.5267
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.0667 1
Toxoplasma gondii thioredoxin reductase 0.0038 0.0217 0.21
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0045 0.0316 0.0221
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0045 0.0315 0.3799
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0224 0.0128
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4033 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0087 0.0943 0.5267
Loa Loa (eye worm) hypothetical protein 0.0045 0.0316 0.062
Loa Loa (eye worm) hypothetical protein 0.003 0.01 0.0009
Trypanosoma brucei trypanothione reductase 0.0038 0.0217 0.2058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0421 0.0344
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.0667 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0421 0.0328
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0069 0.0667 1
Plasmodium falciparum glutathione reductase 0.0038 0.0217 0.2058
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0069 0.0667 0.0575
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.0667 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.0667 0.1653
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4033 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.0943 0.5267
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0045 0.0316 0.0783
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0045 0.0315 0.3799
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4033 1
Mycobacterium tuberculosis Probable reductase 0.0087 0.0943 0.5267
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0045 0.0316 0.0783
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.1791 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0421 0.0344
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0069 0.0667 0.1653
Brugia malayi Thioredoxin reductase 0.0038 0.0217 0.0596
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0069 0.0667 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0421 0.0328
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.0943 0.5267
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0045 0.0315 0.3799
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0421 0.0328
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0069 0.0667 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4033 1
Schistosoma mansoni microtubule-associated protein tau 0.0699 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4033 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0069 0.0667 1
Loa Loa (eye worm) hypothetical protein 0.0269 0.363 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.01 0.0053
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.1088 0.6074
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0069 0.0667 0.0575
Leishmania major trypanothione reductase 0.0038 0.0217 0.2058
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4033 1
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0269 0.363 1
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0217 0.0339
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0069 0.0667 0.1836
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0069 0.0667 0.0575
Loa Loa (eye worm) hypothetical protein 0.0269 0.363 1
Plasmodium vivax glutathione reductase, putative 0.0038 0.0217 0.21
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.1791 1
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0217 0.2058
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.4033 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0069 0.0667 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0421 0.0328
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0069 0.0667 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.0943 0.5267
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0045 0.0316 0.062
Brugia malayi Pre-SET motif family protein 0.003 0.0097 0.0267
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0047 0.0351 0.072
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0069 0.0667 0.0575
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0045 0.0316 0.0237
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0421 0.0328
Onchocerca volvulus 0.024 0.3202 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0069 0.0667 0.0575
Brugia malayi NNMT/PNMT/TEMT family protein 0.0269 0.363 1
Brugia malayi glutathione reductase 0.0038 0.0217 0.0596
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0047 0.0351 0.072
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0224 0.0145
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.4033 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.1088 0.6074

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0029 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.0067 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.