Detailed information for compound 1442720

Basic information

Technical information
  • TDR Targets ID: 1442720
  • Name: 1-(3,5-dimethylpyrazol-1-yl)-3-[2-(4-methoxyp henyl)indol-1-yl]propan-2-ol
  • MW: 375.464 | Formula: C23H25N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1cc2c(n1CC(Cn1nc(cc1C)C)O)cccc2
  • InChi: 1S/C23H25N3O2/c1-16-12-17(2)26(24-16)15-20(27)14-25-22-7-5-4-6-19(22)13-23(25)18-8-10-21(28-3)11-9-18/h4-13,20,27H,14-15H2,1-3H3
  • InChiKey: RFTKCCULWRMXMX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,5-dimethyl-1-pyrazolyl)-3-[2-(4-methoxyphenyl)-1-indolyl]propan-2-ol
  • 1-(3,5-Dimethyl-pyrazol-1-yl)-3-[2-(4-methoxy-phenyl)-indol-1-yl]-propan-2-ol
  • EU-0082802
  • Oprea1_280099
  • MLS000034801
  • SMR000013146

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.304 0.2446
Loa Loa (eye worm) hypothetical protein 0.0016 0.0202 0.0202
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.304 0.304
Brugia malayi nuclear hormone receptor 0.0024 0.304 0.2446
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 1 1
Echinococcus granulosus FTZ F1 alpha 0.0024 0.304 0.2897
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 1 0.5
Brugia malayi ecdysteroid receptor 0.0024 0.304 0.2446
Loa Loa (eye worm) hypothetical protein 0.0024 0.304 0.304
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.304 0.2897
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.304 0.2897
Echinococcus granulosus lamin dm0 0.0033 0.5906 0.5822
Loa Loa (eye worm) hypothetical protein 0.0024 0.304 0.304
Onchocerca volvulus 0.0033 0.5906 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.304 0.2446
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.304 0.2446
Loa Loa (eye worm) hypothetical protein 0.0033 0.5906 0.5906
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.304 0.2446
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.304 0.2446
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.304 0.2446
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.304 0.304
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 1 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 1 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.304 0.2897
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.304 0.2897
Loa Loa (eye worm) hypothetical protein 0.0024 0.304 0.304
Loa Loa (eye worm) hypothetical protein 0.0024 0.304 0.304
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 1 0.5
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.304 0.2446
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.5906 0.5906
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.304 0.2897
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.304 0.2897
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.304 0.2446
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.5906 0.5557
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.304 0.2897
Brugia malayi steroid hormone receptor 0.0024 0.304 0.2446
Schistosoma mansoni lamin 0.0033 0.5906 0.4118
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.304 0.2897
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.304 0.2897
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.304 0.2446
Echinococcus multilocularis lamin dm0 0.0033 0.5906 0.5822
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.304 0.2897
Echinococcus multilocularis musashi 0.0033 0.5906 0.5822
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.304 0.2897
Schistosoma mansoni intermediate filament proteins 0.0033 0.5906 0.4118
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 1 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.5705 0.5705
Echinococcus granulosus intermediate filament protein 0.0033 0.5906 0.5822
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.304 0.2446
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.304 0.304
Echinococcus granulosus lamin 0.0033 0.5906 0.5822
Loa Loa (eye worm) hypothetical protein 0.0024 0.304 0.304
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.304 0.304
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 1 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.304 0.2897
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.304 0.2446
Brugia malayi nuclear receptor NHR-88 0.0024 0.304 0.2446
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.304 0.304
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.304 0.2897
Loa Loa (eye worm) hypothetical protein 0.0024 0.304 0.304
Echinococcus granulosus ubiquitin specific protease 41 0.0045 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.304 0.2446
Onchocerca volvulus 0.0033 0.5906 1
Echinococcus multilocularis lamin 0.0033 0.5906 0.5822
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.304 0.2897
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0787 0.0787
Brugia malayi intermediate filament protein 0.0033 0.5906 0.5557
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.304 0.304
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.304 0.2446
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.304 0.2897
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 1 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.5906 0.5906
Loa Loa (eye worm) hypothetical protein 0.0024 0.304 0.304
Trichomonas vaginalis conserved hypothetical protein 0.0045 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.304 0.2446
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.304 0.2446
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.304 0.2446
Schistosoma mansoni lamin 0.0033 0.5906 0.4118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.304 0.304
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.304 0.2897
Loa Loa (eye worm) hypothetical protein 0.0024 0.304 0.304
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.304 0.304
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.304 0.2897

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 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
Potency (functional) 100 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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