Detailed information for compound 1443192

Basic information

Technical information
  • TDR Targets ID: 1443192
  • Name: 3,5-Dimethylaniline
  • MW: 121.18 | Formula: C8H11N
  • H donors: 1 H acceptors: 0 LogP: 1.97 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)cc(c1)N
  • InChi: 1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
  • InChiKey: MKARNSWMMBGSHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3,5-dimethylphenyl)amine
  • 108-69-0
  • 1-Amino-3,5-dimethylbenzene
  • 3,5-Dimethylbenzeneamine
  • 3,5-Xylidene
  • 3,5-Xylidine
  • 3,5-Xylylamine
  • 5-Amino-1,3-dimethylbenzene
  • 5-Amino-1,3-xylene
  • Benzenamine, 3,5-dimethyl-
  • NSC26880
  • WLN: ZR C1 E1
  • ST5213734
  • 3,5-Dimethylbenzenamine
  • 3,5-Dimethylphenylamine
  • Benzene, 1-amino-3,5-dimethyl-
  • CCRIS 4742
  • EINECS 203-607-0
  • HSDB 2096
  • NSC 26880
  • ZINC03861068
  • InChI=1/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H
  • 137863_ALDRICH
  • 5-Amino-m-xylene
  • NCGC00091402-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Trichomonas vaginalis glucosylceramidase, putative 0.1039 0.6478 1
Schistosoma mansoni alpha-glucosidase 0.1351 0.8798 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0291 0.0924 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0291 0.0924 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0291 0.0924 0.5
Schistosoma mansoni bile acid beta-glucosidase-related 0.085 0.5072 0.5765
Echinococcus granulosus bile acid beta glucosidase 0.085 0.5072 0.4931
Trypanosoma brucei glucosidase, putative 0.0291 0.0924 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.1039 0.6478 1
Loa Loa (eye worm) ceramide glucosyltransferase 0.1213 0.7773 0.7546
Schistosoma mansoni alpha glucosidase 0.0291 0.0924 0.105
Echinococcus multilocularis ceramide glucosyltransferase 0.1213 0.7773 0.7709
Loa Loa (eye worm) hypothetical protein 0.0573 0.302 0.231
Trichomonas vaginalis glucosylceramidase, putative 0.1039 0.6478 1
Brugia malayi Ceramide glucosyltransferase 0.1213 0.7773 0.7546
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1513 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0718 0.4096 0.5712
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0291 0.0924 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0682 0.3823 0.5221
Trichomonas vaginalis glucosylceramidase, putative 0.0682 0.3823 0.5221
Echinococcus granulosus neutral alpha glucosidase AB 0.0291 0.0924 0.0663
Trichomonas vaginalis glucosylceramidase, putative 0.0682 0.3823 0.5221
Schistosoma mansoni bile acid beta-glucosidase-related 0.085 0.5072 0.5765
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1039 0.6478 0.612
Echinococcus multilocularis non lysosomal glucosylceramidase 0.085 0.5072 0.4931
Trichomonas vaginalis glucosylceramidase, putative 0.1039 0.6478 1
Trichomonas vaginalis glucosylceramidase, putative 0.1039 0.6478 1
Trichomonas vaginalis glucosylceramidase, putative 0.1039 0.6478 1
Trichomonas vaginalis glucosylceramidase, putative 0.0682 0.3823 0.5221
Schistosoma mansoni hypothetical protein 0.0205 0.0279 0.0317
Trypanosoma cruzi hypothetical protein, conserved 0.0291 0.0924 0.5
Giardia lamblia Ceramide glucosyltransferase 0.055 0.2844 0.5
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.1213 0.7773 1
Schistosoma mansoni ceramide glucosyltransferase 0.1213 0.7773 0.8834
Onchocerca volvulus 0.0908 0.5505 0.4257
Echinococcus granulosus non lysosomal glucosylceramidase 0.085 0.5072 0.4931
Echinococcus multilocularis lysosomal alpha glucosidase 0.1513 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0291 0.0924 0.0663
Schistosoma mansoni alpha-glucosidase 0.1351 0.8798 1
Schistosoma mansoni hypothetical protein 0.0205 0.0279 0.0317
Trichomonas vaginalis glucosylceramidase, putative 0.0718 0.4096 0.5712
Trichomonas vaginalis glucosylceramidase, putative 0.0682 0.3823 0.5221
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.1039 0.6478 0.612
Schistosoma mansoni ceramide glucosyltransferase 0.1213 0.7773 0.8834
Echinococcus multilocularis bile acid beta glucosidase 0.085 0.5072 0.4931
Echinococcus granulosus ceramide glucosyltransferase 0.1213 0.7773 0.7709
Trichomonas vaginalis glucosylceramidase, putative 0.0682 0.3823 0.5221
Echinococcus granulosus lysosomal alpha glucosidase 0.1513 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0682 0.3823 0.5221
Echinococcus multilocularis lysosomal alpha glucosidase 0.1513 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0291 0.0924 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.058 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) 2.3323 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) 8.1995 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) = 25.1189 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: MultiTox-Fluor Cytotoxicity Assay - LYMP1-001 - Live Cells. (Class of assay: confirmatory) 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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