Detailed information for compound 1323410

Basic information

Technical information
  • TDR Targets ID: 1323410
  • Name: N-[5-[2-(di(propan-2-yl)amino)-2-oxoethyl]sul fanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxami de
  • MW: 368.474 | Formula: C15H20N4O3S2
  • H donors: 1 H acceptors: 4 LogP: 2.91 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N(C(=O)CSc1nnc(s1)NC(=O)c1ccco1)C(C)C)C
  • InChi: 1S/C15H20N4O3S2/c1-9(2)19(10(3)4)12(20)8-23-15-18-17-14(24-15)16-13(21)11-6-5-7-22-11/h5-7,9-10H,8H2,1-4H3,(H,16,17,21)
  • InChiKey: WKVRWHAYOOCBNV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-[2-(diisopropylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
  • N-[5-[[2-(diisopropylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
  • N-[5-[[2-(diisopropylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-furamide
  • N-[5-[2-(di(propan-2-yl)amino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
  • SMR000286821
  • ASN 06402081
  • ZINC01371428
  • MLS000709454

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0024 0.0042 0.0531
Loa Loa (eye worm) matrixin family protein 0.0054 0.0388 0.11
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0089 0.0783 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0024 0.0042 0.0531
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0641 0.1718
Brugia malayi Matrixin family protein 0.0024 0.0049 0.0022
Schistosoma mansoni neuroglian 0.0024 0.0042 0.0649
Echinococcus granulosus twitchin 0.0025 0.0058 0.0747
Loa Loa (eye worm) hypothetical protein 0.0032 0.0137 0.0389
Echinococcus multilocularis roundabout 2 0.0024 0.0042 0.0531
Brugia malayi hypothetical protein 0.0032 0.0137 0.0275
Loa Loa (eye worm) matrix metalloproteinase 0.0024 0.0049 0.014
Brugia malayi RNA binding protein 0.0076 0.0641 0.1718
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0641 0.1815
Schistosoma mansoni cell adhesion molecule 0.0039 0.0212 0.3308
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0641 1
Echinococcus granulosus contactin 0.0024 0.0042 0.0531
Loa Loa (eye worm) hypothetical protein 0.0032 0.0137 0.0389
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0027 0.0075 0.0953
Onchocerca volvulus 0.0299 0.3167 0.963
Loa Loa (eye worm) hypothetical protein 0.0032 0.0137 0.0389
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0024 0.0042 0.0649
Loa Loa (eye worm) hypothetical protein 0.0027 0.0075 0.0211
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0331 0.3531 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0054 0.0388 0.1047
Loa Loa (eye worm) hypothetical protein 0.0032 0.0133 0.0377
Brugia malayi Hemopexin family protein 0.0035 0.0166 0.0356
Brugia malayi Matrixin family protein 0.0024 0.0049 0.0022
Loa Loa (eye worm) hypothetical protein 0.0024 0.0049 0.014
Schistosoma mansoni nephrin 0.0024 0.0042 0.0649
Echinococcus granulosus neuroglian 0.0024 0.0042 0.0531
Onchocerca volvulus Tyrosine kinase homolog 0.0309 0.3286 1
Echinococcus multilocularis roundabout 2 0.0024 0.0042 0.0531
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0641 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0331 0.3531 1
Schistosoma mansoni nephrin 0.0037 0.0196 0.3056
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0641 0.8186
Echinococcus multilocularis neuroglian 0.0024 0.0042 0.0531
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0641 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0641 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0641 0.1815
Echinococcus multilocularis roundabout 2 0.0044 0.0271 0.3455
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0024 0.0049 0.0771
Loa Loa (eye worm) hypothetical protein 0.0024 0.0042 0.0118
Schistosoma mansoni hypothetical protein 0.0035 0.0166 0.2586
Echinococcus granulosus roundabout 2 0.0024 0.0042 0.0531
Loa Loa (eye worm) hypothetical protein 0.0032 0.0133 0.0377
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0641 1
Onchocerca volvulus 0.0035 0.0166 0.0359
Schistosoma mansoni cell adhesion molecule 0.0024 0.0042 0.0649
Brugia malayi Matrixin family protein 0.0024 0.0049 0.0022
Schistosoma mansoni cell adhesion molecule 0.0024 0.0042 0.0649
Loa Loa (eye worm) hypothetical protein 0.003 0.011 0.0312
Echinococcus granulosus neuroglian 0.0025 0.0058 0.0747
Brugia malayi TAR-binding protein 0.0076 0.0641 0.1718
Echinococcus multilocularis neuroglian 0.0025 0.0058 0.0747
Loa Loa (eye worm) RNA binding protein 0.0076 0.0641 0.1815
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0024 0.0042 0.0531
Onchocerca volvulus Matrilysin homolog 0.0054 0.0388 0.1047
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0024 0.0042 0.0118
Echinococcus granulosus roundabout 2 0.0044 0.0271 0.3455
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.003 0.011 0.0196
Brugia malayi Matrixin family protein 0.0059 0.0444 0.1153
Loa Loa (eye worm) matrixin family protein 0.0059 0.0444 0.1258
Brugia malayi Fibronectin type III domain containing protein 0.0032 0.0137 0.0275
Loa Loa (eye worm) hypothetical protein 0.0024 0.0049 0.014
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0024 0.0042 0.0531
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0137 0.0275
Mycobacterium ulcerans haloalkane dehalogenase 0.0899 1 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0024 0.0042 0.0531
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0089 0.0783 1
Brugia malayi Matrixin family protein 0.0024 0.0049 0.0022
Mycobacterium leprae PROBABLE HYDROLASE 0.003 0.011 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0049 0.014
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0024 0.0042 0.0118
Echinococcus granulosus roundabout 2 0.0024 0.0042 0.0531
Echinococcus granulosus tar DNA binding protein 0.0076 0.0641 0.8186

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.

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