Detailed information for compound 1475645

Basic information

Technical information
  • TDR Targets ID: 1475645
  • Name: N-[(3-methoxyphenyl)methyl]-1H-indazole-3-car boxamide
  • MW: 281.309 | Formula: C16H15N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CNC(=O)c1[nH]nc2c1cccc2
  • InChi: 1S/C16H15N3O2/c1-21-12-6-4-5-11(9-12)10-17-16(20)15-13-7-2-3-8-14(13)18-19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
  • InChiKey: ORAJFODOPSGMMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-methoxybenzyl)-1H-indazole-3-carboxamide
  • SMR000344629
  • MLS000772692

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Brugia malayi Peroxidasin 0.029 0.288 1
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.00000034704 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.00000034704 1
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Onchocerca volvulus Peroxidase homolog 0.029 0.288 1
Echinococcus multilocularis peroxidasin 0.029 0.288 0.288
Loa Loa (eye worm) animal heme peroxidase 0.029 0.288 1
Brugia malayi Blistered cuticle protein 3 0.029 0.288 1
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0 0.5
Onchocerca volvulus 0.029 0.288 1
Schistosoma mansoni peroxidasin 0.029 0.288 1
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Echinococcus granulosus peroxidasin 0.029 0.288 1
Brugia malayi Animal haem peroxidase family protein 0.029 0.288 1
Giardia lamblia Replication factor C, subunit 1 0.0012 0.00000034704 0.5
Onchocerca volvulus Peroxidasin homolog 0.029 0.288 1
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Loa Loa (eye worm) animal heme peroxidase 0.029 0.288 1
Brugia malayi hypothetical protein 0.029 0.288 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.00000034704 0.000001205
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0 0.5
Onchocerca volvulus Peroxidasin homolog 0.029 0.288 1
Brugia malayi Animal haem peroxidase family protein 0.029 0.288 1
Treponema pallidum DNA ligase (lig) 0.0012 0 0.5
Loa Loa (eye worm) animal heme peroxidase 0.029 0.288 1
Onchocerca volvulus Peroxidase homolog 0.029 0.288 1
Brugia malayi Animal haem peroxidase family protein 0.029 0.288 1
Onchocerca volvulus 0.029 0.288 1
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0 0.5
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Loa Loa (eye worm) animal heme peroxidase 0.029 0.288 1
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.00000034704 0.00000034704
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.00000034704 0.5
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.00000034704 1
Schistosoma mansoni peroxidasin 0.029 0.288 1
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.00000034704 1
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0.00000034704 0.5
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Loa Loa (eye worm) blistered cuticle protein 3 0.029 0.288 1
Onchocerca volvulus Chorion peroxidase homolog 0.029 0.288 1
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Onchocerca volvulus Dual oxidase homolog 0.029 0.288 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0 0.5
Echinococcus granulosus replication factor c subunit 1 0.0012 0.00000034704 0.000001205
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Brugia malayi Animal haem peroxidase family protein 0.029 0.288 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.00000034704 1
Onchocerca volvulus 0.029 0.288 1
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Chlamydia trachomatis DNA ligase 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.029 0.288 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Brugia malayi Animal haem peroxidase family protein 0.029 0.288 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6535 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) 11.2202 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 18.3489 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) 26.8545 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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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