Detailed information for compound 1363048

Basic information

Technical information
  • TDR Targets ID: 1363048
  • Name: N-[(4-chlorophenyl)methyl]-2-[2-(1-methylindo l-3-yl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrim idin-4-yl]acetamide
  • MW: 447.917 | Formula: C24H22ClN5O2
  • H donors: 1 H acceptors: 3 LogP: 2.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)CCn2c1cc(n2)c1cn(c2c1cccc2)C)NCc1ccc(cc1)Cl
  • InChi: 1S/C24H22ClN5O2/c1-28-14-19(18-4-2-3-5-21(18)28)20-12-23-29(24(32)10-11-30(23)27-20)15-22(31)26-13-16-6-8-17(25)9-7-16/h2-9,12,14H,10-11,13,15H2,1H3,(H,26,31)
  • InChiKey: TXZSHIQHNNCUGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-chlorophenyl)methyl]-2-[2-(1-methyl-3-indolyl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]acetamide
  • N-(4-chlorobenzyl)-2-[5-keto-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]acetamide
  • N-[(4-chlorophenyl)methyl]-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]ethanamide
  • G581-0070
  • NCGC00132142-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis guanylate cyclase, putative 0.0013 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0013 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0013 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0065 1
Echinococcus multilocularis transfer RNA-Lys 0.0038 0.0474 0.0474
Brugia malayi bHLH-PAS transcription factor 0.0038 0.0474 0.1368
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0976 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0976 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0976 0.0976
Leishmania major cytochrome p450-like protein 0.0017 0.0065 0.0665
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0065 0.0212
Mycobacterium ulcerans putative regulatory protein 0.0038 0.0474 0.4493
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0013 0 0.5
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0013 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Loa Loa (eye worm) hypoxia-induced factor 1 0.0158 0.28 0.916
Echinococcus granulosus single minded 2 0.0038 0.0474 0.0474
Mycobacterium leprae Possible regulatory protein 0.0013 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0976 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0065 0.0212
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0013 0 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0976 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0976 1
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0013 0 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0976 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0976 1
Onchocerca volvulus 0.0038 0.0474 1
Trichomonas vaginalis adenylate cyclase, putative 0.0013 0 0.5
Brugia malayi PAS domain containing protein 0.0051 0.0731 0.2226
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0065 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.053 1 1
Brugia malayi hypoxia-induced factor 1 0.0158 0.28 0.9142
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0976 1
Brugia malayi hypothetical protein 0.0171 0.3057 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0171 0.3057 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0013 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0065 0.0212
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.053 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0976 0.0976
Trypanosoma brucei cytochrome P450, putative 0.0017 0.0065 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.2809 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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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