Detailed information for compound 1616239

Basic information

Technical information
  • TDR Targets ID: 1616239
  • Name: N,N-dimethyl-3-[2-(1,2,3,4-tetrahydrocarbazol -9-yl)ethoxy]propan-1-amine
  • MW: 300.438 | Formula: C19H28N2O
  • H donors: 0 H acceptors: 0 LogP: 3.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCOCCn1c2ccccc2c2c1CCCC2)C
  • InChi: 1S/C19H28N2O/c1-20(2)12-7-14-22-15-13-21-18-10-5-3-8-16(18)17-9-4-6-11-19(17)21/h3,5,8,10H,4,6-7,9,11-15H2,1-2H3
  • InChiKey: VTFULHITJBSZRY-UHFFFAOYSA-N  

Network

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Synonyms

  • dimethyl-[3-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]propyl]amine
  • AIDS-145468
  • AIDS145468
  • N,N-Dimethyl-3-(2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethoxy)-1-propanamine
  • N,N-Dimethyl-N-(3-(2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethoxy)propyl)amine
  • NSC670272
  • NCI60_024692

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
Schistosoma mansoni protein kinase 0.0267 0.0024 0.0719
Schistosoma mansoni protein kinase 0.0334 0.0338 1
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0334 0.0338 0.0386
Schistosoma mansoni protein kinase 0.0334 0.0338 1
Entamoeba histolytica protein kinase, putative 0.0267 0.0024 0.0719
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0334 0.0338 0.0386
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.212 0.8765 1
Entamoeba histolytica protein kinase, putative 0.0267 0.0024 0.0719
Brugia malayi Protein kinase domain 0.0334 0.0338 0.0338
Echinococcus multilocularis PAK box P21 Rho binding 0.0267 0.0024 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.0329 0.0314 0.9225
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.212 0.8765 1
Entamoeba histolytica protein kinase, putative 0.0334 0.0338 1
Entamoeba histolytica protein kinase, putative 0.0267 0.0024 0.0719
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0334 0.0338 0.0386
Trichomonas vaginalis STE family protein kinase 0.0334 0.0338 1
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0334 0.0338 0.0386
Giardia lamblia Kinase, STE STE20 0.0334 0.0338 0.5
Trichomonas vaginalis STE family protein kinase 0.0334 0.0338 1
Entamoeba histolytica p21-activated kinase 0.0334 0.0338 1
Trichomonas vaginalis STE family protein kinase 0.0334 0.0338 1
Loa Loa (eye worm) hypothetical protein 0.0329 0.0314 0.0314
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0334 0.0338 0.0386
Trichomonas vaginalis STE family protein kinase 0.0334 0.0338 1
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0334 0.0338 0.0386

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.285 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.879 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.827 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.822 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.817 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.771 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.768 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.729 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.554 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) 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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