Detailed information for compound 1354992

Basic information

Technical information
  • TDR Targets ID: 1354992
  • Name: 5-bromo-N-(3-dimethylaminopropyl)-2-hydroxybe nzamide
  • MW: 301.18 | Formula: C12H17BrN2O2
  • H donors: 2 H acceptors: 2 LogP: 2.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCNC(=O)c1cc(Br)ccc1O)C
  • InChi: 1S/C12H17BrN2O2/c1-15(2)7-3-6-14-12(17)10-8-9(13)4-5-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)
  • InChiKey: SKKNGENANNQMRG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-bromo-N-(3-dimethylaminopropyl)-2-hydroxy-benzamide
  • MLS000849894
  • SMR000455912
  • 5-Bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide
  • Benzamide, 5-bromo-2-hydroxy-N-(3-dimethylaminopropyl)-
  • Maybridge2_000197
  • IDI1_001237

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
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
Schistosoma mansoni hypothetical protein 0.0205 0.2971 0.2971
Plasmodium vivax proteasome subunit beta type-1, putative 0.0181 0.2454 0.15
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0122 0.1123 0.1123
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0521 1 0.5
Echinococcus multilocularis geminin 0.0205 0.2971 0.2971
Loa Loa (eye worm) proteasome subunit beta type 2 0.0122 0.1123 0.1123
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0181 0.2454 0.15
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0122 0.1123 0.1123
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0521 1 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0181 0.2454 0.2454
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0521 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0122 0.1123 0.1123
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0181 0.2454 0.15
Plasmodium falciparum proteasome subunit beta type-5 0.0521 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0521 1 1
Echinococcus granulosus proteasome prosome macropain 0.0521 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0521 1 1
Giardia lamblia Proteasome subunit beta type 1 0.0181 0.2454 0.15
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0181 0.2454 0.15
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0181 0.2454 0.15
Leishmania major proteasome beta 5 subunit, putative 0.0521 1 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0181 0.2454 0.15
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0181 0.2454 0.15
Mycobacterium ulcerans proteasome PrcB 0.0521 1 0.5
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0181 0.2454 0.15
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0122 0.1123 0.1123
Echinococcus multilocularis proteasome (prosome, macropain) 0.0521 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0521 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0521 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.2971 0.2971
Trypanosoma brucei proteasome beta 6 subunit 0.0181 0.2454 0.15
Brugia malayi proteasome subunit beta type 2 0.0122 0.1123 0.1123
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0181 0.2454 0.2454
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0521 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0181 0.2454 0.2454
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0521 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0521 1 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.0181 0.2454 0.2454
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0521 1 0.5
Brugia malayi proteasome subunit beta type 1 0.0181 0.2454 0.2454
Echinococcus granulosus geminin 0.0205 0.2971 0.2971
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0521 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5174 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 39.8107 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: 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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