Detailed information for compound 895634

Basic information

Technical information
  • TDR Targets ID: 895634
  • Name: 4-methoxy-3-(tetrazol-1-yl)aniline
  • MW: 191.19 | Formula: C8H9N5O
  • H donors: 1 H acceptors: 3 LogP: 0.51 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1n1cnnn1)N
  • InChi: 1S/C8H9N5O/c1-14-8-3-2-6(9)4-7(8)13-5-10-11-12-13/h2-5H,9H2,1H3
  • InChiKey: RIPPAMITZFWDCY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methoxy-3-(1-tetrazolyl)aniline
  • [4-methoxy-3-(tetrazol-1-yl)phenyl]amine
  • 4-methoxy-3-(1,2,3,4-tetrazol-1-yl)aniline
  • 4-methoxy-3-(1H-tetrazol-1-yl)aniline
  • MLS000660695
  • SMR000310214
  • ZERO/006645

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.2137 1 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.2137 1 0.5
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2137 1 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.0636 0.0636
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2137 1 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.2137 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0834 0.3688 1
Echinococcus multilocularis geminin 0.0205 0.0636 0.1725
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.2137 1 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.0636 0.0636
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0834 0.3688 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0834 0.3688 0.5
Echinococcus granulosus geminin 0.0205 0.0636 0.1725
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2137 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0834 0.3688 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0834 0.3688 0.5
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.2137 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0834 0.3688 1
Leishmania major dihydroorotate dehydrogenase 0.2137 1 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.2137 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2137 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0834 0.3688 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0834 0.3688 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.2137 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0834 0.3688 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.2137 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0834 0.3688 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0834 0.3688 0.5
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.2137 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7308 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) 3.2643 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 19.9526 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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