Detailed information for compound 1290597

Basic information

Technical information
  • TDR Targets ID: 1290597
  • Name: SR-01000635236-1
  • MW: 351.369 | Formula: C15H8F3N3S2
  • H donors: 0 H acceptors: 2 LogP: 4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1cc(nc2n1nc(c2)c1cccs1)c1cccs1)(F)F
  • InChi: 1S/C15H8F3N3S2/c16-15(17,18)13-7-9(11-3-1-5-22-11)19-14-8-10(20-21(13)14)12-4-2-6-23-12/h1-8H
  • InChiKey: PQOJHAATGCYINC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,5-di(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
  • MLS000859077
  • SMR000459256
  • ZINC01037315

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0205 0.5675 0.8952
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0499 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.634 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0885 0.1397
Brugia malayi MH2 domain containing protein 0.0144 0.3878 1
Schistosoma mansoni choline o-acyltransferase 0.0024 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0131 0.3473 0.8866
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3878 1
Entamoeba histolytica hypothetical protein 0.0043 0.0885 0.5
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1306 0.28
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0131 0.3473 1
Brugia malayi mbt repeat family protein 0.0058 0.1306 0.3048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1236 0.1949
Schistosoma mansoni hypothetical protein 0.0205 0.5675 0.5675
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0499 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1306 0.1306
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1306 0.206
Schistosoma mansoni choline o-acyltransferase 0.0024 0.0306 0.0306
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0499 0.061
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1236 0.1949
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1543 0.2434
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1306 0.1306
Schistosoma mansoni hypothetical protein 0.0205 0.5675 0.5675
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1236 0.1236
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1543 0.2434
Brugia malayi Choline O-acetyltransferase 0.0024 0.0306 0.0344
Entamoeba histolytica hypothetical protein 0.0043 0.0885 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1306 0.206
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0131 0.3473 0.8905
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1543 0.2434
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3878 1
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1306 0.206
Entamoeba histolytica hypothetical protein 0.0043 0.0885 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1543 0.3688
Schistosoma mansoni hypothetical protein 0.0043 0.0885 0.0885
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1306 0.1306
Entamoeba histolytica hypothetical protein 0.0043 0.0885 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0885 0.0885
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0024 0.0306 0.0344
Echinococcus multilocularis geminin 0.0205 0.5675 0.8952
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0024 0.0306 0.0482
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0131 0.3473 0.5479
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1236 0.1236
Brugia malayi hypothetical protein 0.003 0.0499 0.0866
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0499 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0499 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0499 0.0541
Loa Loa (eye worm) hypothetical protein 0.0066 0.1543 0.3463
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1236 0.2603
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0885 0.1397
Brugia malayi Choline O-acetyltransferase 0.0024 0.0306 0.0344
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1543 0.2434
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0131 0.3473 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.634 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1236 0.2858
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0499 0.061
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1543 0.1543
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1236 0.1949
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1306 0.206
Loa Loa (eye worm) MBCTL1 0.0066 0.1543 0.3463
Brugia malayi hypothetical protein 0.0043 0.0885 0.1911
Echinococcus granulosus choline O acetyltransferase 0.0024 0.0306 0.0482
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1236 0.1236
Onchocerca volvulus 0.0058 0.1306 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1236 0.1949
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0024 0.0306 0.0344
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0024 0.0306 0.0482
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0499 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.1306 1
Echinococcus multilocularis choline O acetyltransferase 0.0024 0.0306 0.0482
Loa Loa (eye worm) hypothetical protein 0.0058 0.1306 0.28
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0131 0.3473 0.5479
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0131 0.3473 1
Brugia malayi mbt repeat family protein 0.0058 0.1306 0.3048
Leishmania major hypothetical protein, conserved 0.003 0.0499 0.061

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5805 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9093 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 10 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) 11.2202 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) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Secondary FLuc Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.

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