Detailed information for compound 1525430

Basic information

Technical information
  • TDR Targets ID: 1525430
  • Name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihyd ro-4H-indazol-4-yl]-6,6-dimethyl-4-oxo-5H-pyr an-2-carboxamide
  • MW: 423.505 | Formula: C24H29N3O4
  • H donors: 1 H acceptors: 3 LogP: 3.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1ncc2c1CC(C)(C)CC2NC(=O)C1=CC(=O)CC(O1)(C)C
  • InChi: 1S/C24H29N3O4/c1-23(2)12-19(26-22(29)21-10-16(28)11-24(3,4)31-21)18-14-25-27(20(18)13-23)15-6-8-17(30-5)9-7-15/h6-10,14,19H,11-13H2,1-5H3,(H,26,29)
  • InChiKey: MQMGKDGRWSUPJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-keto-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-6,6-dimethyl-5H-pyran-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
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 Transcription factor JmjC domain containing protein 0.0115 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0061 0.3183 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0061 0.3183 1
Onchocerca volvulus 0.0061 0.3183 1
Giardia lamblia PHD finger protein 15 0.0035 0 0.5
Schistosoma mansoni hypothetical protein 0.0061 0.3183 0.452
Brugia malayi SWIB/MDM2 domain containing protein 0.0061 0.3183 0.3183
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Chlamydia trachomatis SWIB complex protein 0.0061 0.3183 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0925 0.1976
Brugia malayi brahma associated protein 60 kDa 0.0061 0.3183 0.3183
Echinococcus granulosus SWI:SNF matrix associated 0.0061 0.3183 0.3183
Echinococcus multilocularis SWI:SNF matrix associated 0.0061 0.3183 0.3183
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7041 1
Loa Loa (eye worm) brahma associated protein 0.0061 0.3183 0.6801
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0061 0.3183 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0061 0.3183 0.3183
Schistosoma mansoni hypothetical protein 0.0061 0.3183 0.452
Brugia malayi brahma associated protein 60 kDa 0.0061 0.3183 0.3183
Plasmodium vivax hypothetical protein, conserved 0.0061 0.3183 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0925 0.1313
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0061 0.3183 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0925 0.1313
Brugia malayi jmjC domain containing protein 0.0043 0.0925 0.0925
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1721 0.1721
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.3183 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0925 0.0925
Schistosoma mansoni brg-1 associated factor 0.0061 0.3183 0.452
Echinococcus multilocularis SWI:SNF matrix associated 0.0061 0.3183 0.3183
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.468 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0061 0.3183 0.3183
Loa Loa (eye worm) hypothetical protein 0.006 0.314 0.6709
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0061 0.3183 0.6801
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0061 0.3183 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0061 0.3183 0.3183
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1721 0.1721
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0925 0.0925
Chlamydia trachomatis DNA topoisomerase I 0.0061 0.3183 0.5
Schistosoma mansoni hypothetical protein 0.0061 0.3183 0.452

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 1.3115 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) 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) 25.929 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

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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