Detailed information for compound 1710645

Basic information

Technical information
  • TDR Targets ID: 1710645
  • Name: 5-[(4-propan-2-ylphenyl)amino]-3H-1,3,4-thiad iazole-2-thione
  • MW: 251.371 | Formula: C11H13N3S2
  • H donors: 1 H acceptors: 2 LogP: 3.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(cc1)Nc1nnc(s1)S)C
  • InChi: 1S/C11H13N3S2/c1-7(2)8-3-5-9(6-4-8)12-10-13-14-11(15)16-10/h3-7H,1-2H3,(H,12,13)(H,14,15)
  • InChiKey: JIXKQGPKUYDYPH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(4-isopropylphenyl)amino]-3H-1,3,4-thiadiazole-2-thione
  • Oprea1_264852
  • NSC343546
  • ZINC03243420

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
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
Brugia malayi RNA recognition motif domain containing 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
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
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
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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
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
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
Echinococcus granulosus 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
Brugia malayi TAR-binding protein 0.0076 1 1
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0 0.5
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Treponema pallidum DNA ligase (lig) 0.0012 0 0.5
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0 0.5
Chlamydia trachomatis DNA ligase 0.0012 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Entamoeba histolytica hypothetical protein 0.0012 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Toxoplasma gondii ATPase, AAA family protein 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Onchocerca volvulus 0.0012 0 0.5
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Giardia lamblia Replication factor C, subunit 1 0.0012 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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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