Detailed information for compound 1877929

Basic information

Technical information
  • TDR Targets ID: 1877929
  • Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylam inomethyl)-N-[[4-[(2-methylphenyl)methoxy]phe nyl]methylideneamino]triazole-4-carboxamide
  • MW: 503.556 | Formula: C25H29N9O3
  • H donors: 2 H acceptors: 5 LogP: 2.84 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)OCc1ccccc1C)CC
  • InChi: 1S/C25H29N9O3/c1-4-33(5-2)15-21-22(28-32-34(21)24-23(26)30-37-31-24)25(35)29-27-14-18-10-12-20(13-11-18)36-16-19-9-7-6-8-17(19)3/h6-14H,4-5,15-16H2,1-3H3,(H2,26,30)(H,29,35)/b27-14+
  • InChiKey: MOPSAWPFHWVZCV-MZJWZYIUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[[4-[(2-methylphenyl)methoxy]phenyl]methyleneamino]triazole-4-carboxamide
  • 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[[4-[(2-methylphenyl)methoxy]phenyl]methyleneamino]-4-triazolecarboxamide
  • 1-(4-aminofurazan-3-yl)-5-(diethylaminomethyl)-N-[[4-(2-methylbenzyl)oxybenzylidene]amino]triazole-4-carboxamide
  • 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1,2,3-triazole-4-carboxamide
  • STOCK3S-51999

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA 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 ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein 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 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 mansoni 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2966 0.2966
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2966 0.2966
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2966 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0 0.5
Brugia malayi hypothetical protein 0.0043 0.1152 0.3883
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.1026 0.1026
Loa Loa (eye worm) hypothetical protein 0.006 0.2072 0.6984
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2072 0.6984
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2966 0.2966
Mycobacterium ulcerans DNA polymerase IV 0.0022 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.2966 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1799 0.6065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1799 0.1799
Entamoeba histolytica hypothetical protein 0.0043 0.1152 1
Schistosoma mansoni hypothetical protein 0.0043 0.1152 0.1152
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1799 0.1799
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0 0.5
Echinococcus multilocularis geminin 0.0205 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2966 0.2966
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1026 0.3459
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1799 0.1799
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1799 0.6065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1799 0.1799
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2072 0.6984
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2966 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Brugia malayi RNA binding protein 0.0076 0.2966 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1152 0.1152
Entamoeba histolytica hypothetical protein 0.0043 0.1152 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1799 0.1799
Entamoeba histolytica hypothetical protein 0.0043 0.1152 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2966 0.2966
Leishmania major DNA polymerase eta, putative 0.0022 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1152 0.1152
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0 0.5
Brugia malayi TAR-binding protein 0.0076 0.2966 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0 0.5
Leishmania major DNA polymerase kappa, putative 0.0022 0 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2072 0.6984
Trypanosoma brucei unspecified product 0.0022 0 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1026 0.3459
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2966 0.2966
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1799 0.1799
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1799 0.1799
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2966 1
Mycobacterium ulcerans DNA polymerase IV 0.0022 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0022 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1152 0.1152
Echinococcus granulosus tar DNA binding protein 0.0076 0.2966 0.2966
Entamoeba histolytica hypothetical protein 0.0043 0.1152 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 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) 7.0795 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) 10.4179 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) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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