Detailed information for compound 1423074

Basic information

Technical information
  • TDR Targets ID: 1423074
  • Name: N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl] methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
  • MW: 388.466 | Formula: C22H24N6O
  • H donors: 1 H acceptors: 3 LogP: 3.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1nn(cc1CNC(Cn1cncn1)C)c1ccccc1
  • InChi: 1S/C22H24N6O/c1-17(13-27-16-23-15-25-27)24-12-19-14-28(20-8-4-3-5-9-20)26-22(19)18-7-6-10-21(11-18)29-2/h3-11,14-17,24H,12-13H2,1-2H3
  • InChiKey: KUPCPVUFVADQLU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
  • N-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
  • [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-[1-methyl-2-(1,2,4-triazol-1-yl)ethyl]amine
  • MLS000732966
  • N-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
  • SMR000317933

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
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0058 0.0475 0.0475
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.1302 1
Brugia malayi MH2 domain containing protein 0.0042 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0186 0.1949 0.1949
Loa Loa (eye worm) MH2 domain-containing protein 0.0618 0.6913 0.6913
Schistosoma mansoni hypothetical protein 0.0058 0.0475 0.0475
Schistosoma mansoni smad 0.0019 0.002 0.002
Loa Loa (eye worm) MH1 domain-containing protein 0.0019 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0186 0.1949 0.1949
Echinococcus multilocularis mothers against decapentaplegic 2 0.0019 0.002 0.002
Echinococcus granulosus TGF beta signal transducer SmadC 0.0042 0.0288 0.0288
Schistosoma mansoni Smad4 0.0019 0.002 0.002
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.1302 1
Leishmania major hypothetical protein, conserved 0.013 0.1302 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0886 1 1
Echinococcus multilocularis GPCR, family 2 0.0186 0.1949 0.1949
Brugia malayi MH2 domain containing protein 0.0618 0.6913 0.6913
Loa Loa (eye worm) latrophilin receptor protein 2 0.0186 0.1949 0.1949
Echinococcus multilocularis Smad4 0.0042 0.0288 0.0288
Brugia malayi MH1 domain containing protein 0.0023 0.0071 0.0071
Brugia malayi hypothetical protein 0.0084 0.0771 0.0771
Brugia malayi Smad1 0.0042 0.0288 0.0288
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0186 0.1949 0.1949
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0186 0.1949 0.1949
Schistosoma mansoni Smad4 0.0019 0.002 0.002
Loa Loa (eye worm) nuclear factor I 0.0023 0.0071 0.0071
Brugia malayi N-terminal motif family protein 0.0182 0.1897 0.1897
Schistosoma mansoni smad1 5 8 and 0.0042 0.0288 0.0288
Schistosoma mansoni tar DNA-binding protein 0.0886 1 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0042 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0023 0.0071 0.0071
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0589 0.6584 0.6584
Brugia malayi RNA recognition motif domain containing protein 0.0886 1 1
Schistosoma mansoni smad1 5 8 and 0.0042 0.0288 0.0288
Brugia malayi MH2 domain containing protein 0.0042 0.0288 0.0288
Echinococcus granulosus mothers against decapentaplegic 5 0.0042 0.0288 0.0288
Echinococcus granulosus Smad4 0.0042 0.0288 0.0288
Plasmodium vivax ataxin-2 like protein, putative 0.013 0.1302 1
Loa Loa (eye worm) hypothetical protein 0.0589 0.6584 0.6584
Schistosoma mansoni tar DNA-binding protein 0.0886 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.013 0.1302 1
Schistosoma mansoni smad1 5 8 and 0.0042 0.0288 0.0288
Toxoplasma gondii LsmAD domain-containing protein 0.013 0.1302 1
Brugia malayi MH1 domain containing protein 0.0042 0.0288 0.0288
Schistosoma mansoni Smad4 0.0042 0.0288 0.0288
Brugia malayi Latrophilin receptor protein 2 0.0186 0.1949 0.1949
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0186 0.1949 0.1949
Schistosoma mansoni tar DNA-binding protein 0.0886 1 1
Schistosoma mansoni smad 0.0042 0.0288 0.0288
Brugia malayi Calcitonin receptor-like protein seb-1 0.0589 0.6584 0.6584
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0186 0.1949 0.1949
Echinococcus granulosus GPCR family 2 0.0186 0.1949 0.1949
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0186 0.1949 0.1949
Echinococcus multilocularis tar DNA binding protein 0.0886 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.1302 1
Echinococcus multilocularis mothers against decapentaplegic 6 0.0019 0.002 0.002
Loa Loa (eye worm) Smad1 0.0042 0.0288 0.0288
Brugia malayi MH1 domain containing protein 0.0023 0.0071 0.0071
Loa Loa (eye worm) MH2 domain-containing protein 0.0042 0.0288 0.0288
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0589 0.6584 0.6584
Brugia malayi MH1 domain containing protein 0.0042 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0186 0.1949 0.1949
Brugia malayi latrophilin 2 splice variant baaae 0.0403 0.4438 0.4438
Loa Loa (eye worm) hypothetical protein 0.0403 0.4438 0.4438
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0058 0.0475 0.0475
Loa Loa (eye worm) RNA binding protein 0.0886 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.013 0.1302 0.1302
Echinococcus granulosus mothers against decapentaplegic 2 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0186 0.1949 0.1949
Echinococcus granulosus smad 0.0042 0.0288 0.0288
Brugia malayi TAR-binding protein 0.0886 1 1
Echinococcus multilocularis smad 0.0042 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0186 0.1949 0.1949
Echinococcus granulosus mothers against decapentaplegic 6 0.0019 0.002 0.002
Echinococcus granulosus tar DNA binding protein 0.0886 1 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0019 0.002 0.002
Loa Loa (eye worm) MH1 domain-containing protein 0.0042 0.0288 0.0288
Schistosoma mansoni tar DNA-binding protein 0.0886 1 1
Loa Loa (eye worm) TAR-binding protein 0.0886 1 1
Schistosoma mansoni hypothetical protein 0.0403 0.4438 0.4438
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0042 0.0288 0.0288
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.1897 1
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.1302 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0042 0.0288 0.0288
Loa Loa (eye worm) MH2 domain-containing protein 0.0019 0.002 0.002
Schistosoma mansoni tar DNA-binding protein 0.0886 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0618 0.6913 0.6913
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.1897 0.1897
Brugia malayi MH2 domain containing protein 0.0019 0.002 0.002
Brugia malayi hypothetical protein 0.013 0.1302 0.1302

Activities

Activity type Activity value Assay description Source 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) 14.7157 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) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 29.081 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) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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