Detailed information for compound 1289404

Basic information

Technical information
  • TDR Targets ID: 1289404
  • Name: N-[(3-chlorophenyl)methyl]-4-(5-methylindazol -1-yl)-4-oxobutanamide
  • MW: 355.818 | Formula: C19H18ClN3O2
  • H donors: 1 H acceptors: 3 LogP: 3.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCC(=O)n1ncc2c1ccc(c2)C)NCc1cccc(c1)Cl
  • InChi: 1S/C19H18ClN3O2/c1-13-5-6-17-15(9-13)12-22-23(17)19(25)8-7-18(24)21-11-14-3-2-4-16(20)10-14/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,24)
  • InChiKey: XKXJKJCCMZACGA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxo-butanamide
  • N-[(3-chlorophenyl)methyl]-4-(5-methyl-1-indazolyl)-4-oxobutanamide
  • N-(3-chlorobenzyl)-4-keto-4-(5-methylindazol-1-yl)butyramide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dna polymerase eta 0.0023 0.1672 0.1672
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1672 0.1672
Loa Loa (eye worm) intermediate filament protein 0.003 0.2925 1
Trypanosoma brucei unspecified product 0.0023 0.1672 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1672 0.1672
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Schistosoma mansoni lamin 0.003 0.2925 0.1505
Loa Loa (eye worm) hypothetical protein 0.0023 0.1672 0.5715
Onchocerca volvulus 0.003 0.2925 0.5
Echinococcus multilocularis musashi 0.003 0.2925 0.2925
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1672 0.5
Echinococcus granulosus dna polymerase kappa 0.0023 0.1672 0.1672
Brugia malayi intermediate filament protein 0.003 0.2925 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.2925 1
Schistosoma mansoni intermediate filament proteins 0.003 0.2925 0.1505
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1672 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1672 0.1672
Schistosoma mansoni lamin 0.003 0.2925 0.1505
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1672 0.5225
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1672 0.5
Echinococcus multilocularis lamin 0.003 0.2925 0.2925
Loa Loa (eye worm) hypothetical protein 0.0029 0.2821 0.9646
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Echinococcus multilocularis lamin dm0 0.003 0.2925 0.2925
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.1672 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.1672 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1672 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.2925 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1672 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1672 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1672 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.03 0.1026
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1672 0.5715
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1672 0.5225
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.1672 0.1672
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1672 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Echinococcus granulosus lamin 0.003 0.2925 0.2925
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1672 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2925 1
Onchocerca volvulus 0.003 0.2925 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1672 1
Echinococcus granulosus lamin dm0 0.003 0.2925 0.2925
Echinococcus granulosus intermediate filament protein 0.003 0.2925 0.2925
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1672 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.1672 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.6573 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.9349 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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
Potency (functional) 141.2538 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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