Detailed information for compound 1450294

Basic information

Technical information
  • TDR Targets ID: 1450294
  • Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-di(pheny l)pyrazole-3-carboxamide
  • MW: 348.422 | Formula: C19H16N4OS
  • H donors: 1 H acceptors: 2 LogP: 3.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(nn1c1ccccc1)c1ccccc1)NC1=NCCS1
  • InChi: 1S/C19H16N4OS/c24-18(21-19-20-11-12-25-19)17-13-16(14-7-3-1-4-8-14)22-23(17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21,24)
  • InChiKey: MWSYAUVFGWRLRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4,5-dihydrothiazol-2-yl)-2,5-di(phenyl)pyrazole-3-carboxamide
  • N-(4,5-dihydrothiazol-2-yl)-2,5-di(phenyl)-3-pyrazolecarboxamide
  • SMR000064276
  • T5271985
  • ZINC02651334
  • MLS000053851

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis transcription factor btf3 0.0042 0.2652 0.4189
Brugia malayi MH2 domain containing protein 0.001 0.0316 0.0316
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0086 0.5792 0.9821
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0087 0.5892 1
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0316 0.0316
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0086 0.5792 0.9821
Brugia malayi MH1 domain containing protein 0.001 0.0316 0.0316
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.2652 0.5
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.2652 0.5
Echinococcus granulosus transcription factor btf3 0.0042 0.2652 0.4189
Brugia malayi beta-NAC-like protein 0.0042 0.2652 0.2652
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.2652 0.5
Entamoeba histolytica hypothetical protein 0.0042 0.2652 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.2652 0.5
Loa Loa (eye worm) Smad1 0.001 0.0316 0.0316
Brugia malayi Protein kinase domain containing protein 0.0087 0.5892 0.5892
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0316 0.0316
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0086 0.5792 0.9821
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.2652 0.5
Brugia malayi MH1 domain containing protein 0.001 0.0316 0.0316
Brugia malayi MH2 domain containing protein 0.001 0.0316 0.0316
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.2652 0.5
Loa Loa (eye worm) ICD-1 protein 0.0042 0.2652 0.2652
Echinococcus granulosus 3'partial|mitogen activated protein kinase kinase kinase 0.0086 0.5792 0.9821
Schistosoma mansoni transcription factor btf3 0.0042 0.2652 1
Loa Loa (eye worm) TKL/MLK/TAK1 protein kinase 0.0087 0.5892 0.5892
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 7 0.0086 0.5792 0.9821
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0087 0.5892 1
Brugia malayi Smad1 0.001 0.0316 0.0316
Echinococcus multilocularis kinase protein 0.0086 0.5792 0.9821
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.2652 0.5
Echinococcus granulosus 5'partial|3'partial|mitogen activated protein kinase kinase kinase 0.0086 0.5792 0.9821
Toxoplasma gondii NAC domain-containing protein 0.0042 0.2652 0.5
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.2652 0.5
Echinococcus multilocularis kinase protein 0.0086 0.5792 0.9821
Leishmania major basic transcription factor 3a, putative 0.0042 0.2652 0.5
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.2652 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.057 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 34.175 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 50.1187 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

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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