Detailed information for compound 1569988

Basic information

Technical information
  • TDR Targets ID: 1569988
  • Name: 2-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(2,4 -difluorophenyl)-3-oxotetrahydro-1(2H)-pyrazi necarboxamide
  • MW: 457.258 | Formula: C19H16Cl2F2N4O3
  • H donors: 3 H acceptors: 3 LogP: 2.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(Cl)ccc1Cl)CC1C(=O)NCCN1C(=O)Nc1ccc(cc1F)F
  • InChi: 1S/C19H16Cl2F2N4O3/c20-10-1-3-12(21)15(7-10)25-17(28)9-16-18(29)24-5-6-27(16)19(30)26-14-4-2-11(22)8-13(14)23/h1-4,7-8,16H,5-6,9H2,(H,24,29)(H,25,28)(H,26,30)
  • InChiKey: NSEMDUURQAIUFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000860578
  • SMR000458662
  • Oprea1_284684

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.6135 0.5824
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0039 0.3497 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0746 0.3825
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0746 0.2132
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0746 0.3825
Schistosoma mansoni hypothetical protein 0.0025 0.1851 0.1851
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1069 0.3056
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0746 0.2132
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0039 0.3497 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1949 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1069 0.3056
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0746 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.1949 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1069 0.0349
Schistosoma mansoni hypothetical protein 0.0019 0.1069 0.1069
Schistosoma mansoni netrin receptor unc5 0.0025 0.1851 0.1851
Loa Loa (eye worm) hypothetical protein 0.0092 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0746 0.2132
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1069 0.3056
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0025 0.1851 0.1851
Brugia malayi hypothetical protein 0.0026 0.1949 0.1301
Loa Loa (eye worm) hypothetical protein 0.0026 0.1949 0.1301
Brugia malayi Death domain containing protein 0.0025 0.1851 0.1195
Schistosoma mansoni ankyrin 23/unc44 0.0025 0.1851 0.1851
Schistosoma mansoni hypothetical protein 0.0012 0.017 0.017
Echinococcus granulosus Ankyrin 0.0025 0.1851 0.5294
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0025 0.1851 0.1195
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0746 0.3825
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0746 0.2132
Schistosoma mansoni hypothetical protein 0.0019 0.1069 0.1069
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0746 0.2132
Loa Loa (eye worm) hypothetical protein 0.0025 0.1851 0.1195
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.017 0.0488
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0025 0.1851 0.5294
Schistosoma mansoni tumor necrosis factor receptor related 0.0039 0.3497 0.3497
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0 0.5
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0039 0.3497 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0746 0.2132
Echinococcus multilocularis netrin receptor unc 5 0.0025 0.1851 0.5294
Schistosoma mansoni eyes absent homolog 0.0092 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.379 0.329
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1069 0.3056
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0746 0.3825
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.6135 0.5824
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0746 0.3825
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0039 0.3497 1
Schistosoma mansoni hypothetical protein 0.0041 0.379 0.379
Schistosoma mansoni hypothetical protein 0.0019 0.1069 0.1069
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1949 1
Echinococcus granulosus death domain containing protein 0.0025 0.1851 0.5294
Loa Loa (eye worm) hypothetical protein 0.006 0.6135 0.5824
Loa Loa (eye worm) hypothetical protein 0.0019 0.1069 0.0349
Echinococcus multilocularis Ankyrin 0.0025 0.1851 0.5294
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0746 0.3825
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0025 0.1851 0.5294
Brugia malayi hypothetical protein 0.0017 0.0806 0.0065
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0746 0.3825
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0025 0.1851 0.1195
Onchocerca volvulus Netrin receptor homolog 0.0025 0.1851 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1949 1
Loa Loa (eye worm) hypothetical protein 0.0092 1 1
Brugia malayi Protein kinase domain containing protein 0.0025 0.1851 0.1195
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0746 0.0746
Leishmania major hypothetical protein, conserved 0.0026 0.1949 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0746 0.3825
Brugia malayi Uncoordinated protein 44 0.0025 0.1851 0.1195
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1069 0.0349
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.017 0.0488
Echinococcus granulosus netrin receptor unc 5 0.0025 0.1851 0.5294
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.379 0.329
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.1949 1
Echinococcus granulosus GPCR family 2 0.0019 0.1069 0.3056
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1949 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.6135 0.5824
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.1949 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1069 0.0349
Entamoeba histolytica ABC transporter, putative 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.1851 0.1195
Echinococcus multilocularis GPCR, family 2 0.0019 0.1069 0.3056
Schistosoma mansoni hypothetical protein 0.0019 0.1069 0.1069
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0746 0.3825

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] 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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