Detailed information for compound 1638295

Basic information

Technical information
  • TDR Targets ID: 1638295
  • Name: N,N-dimethyl-3-(1,2,3,4-tetrahydrocarbazol-4a -yl)propan-1-amine
  • MW: 256.386 | Formula: C17H24N2
  • H donors: 0 H acceptors: 0 LogP: 2.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCC12CCCCC1=Nc1c2cccc1)C
  • InChi: 1S/C17H24N2/c1-19(2)13-7-12-17-11-6-5-10-16(17)18-15-9-4-3-8-14(15)17/h3-4,8-9H,5-7,10-13H2,1-2H3
  • InChiKey: HVKJPXSPPGSOPY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • dimethyl-[3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propyl]amine
  • AIDS-147712
  • AIDS147712
  • NCI60_027717
  • N,N-Dimethyl-N-(3-(1,2,3,4-tetrahydro-4aH-carbazol-4a-yl)propyl)amine
  • NSC677642
  • N,N-Dimethyl-3-(1,2,3,4-tetrahydro-4aH-carbazol-4a-yl)-1-propanamine

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 family S10 unassigned peptidase (S10 family) 0.0588 1 1
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0588 1 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0588 1 1
Echinococcus multilocularis lysosomal protective protein 0.0588 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0317 0.5156 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0588 1 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0085 0.1003 0.4425
Schistosoma mansoni alpha-glucosidase 0.0152 0.2207 0.2199
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.5156 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.2647 0.2647
Treponema pallidum fructose-bisphosphate aldolase 0.0317 0.5156 1
Echinococcus multilocularis geminin 0.0184 0.2773 0.2767
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0085 0.1003 0.1932
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.053 0.8961 0.896
Loa Loa (eye worm) hypothetical protein 0.0588 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.5156 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0588 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0188 0.0178
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0588 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0085 0.1003 0.0995
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.1003 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.4074 0.4068
Loa Loa (eye worm) hypothetical protein 0.0029 0.001 0.001
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0188 0.0178
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.2647 0.264
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0588 1 1
Brugia malayi Probable ClpP-like protease 0.0085 0.1003 0.0995
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.5156 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0155 0.2256 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0085 0.1003 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.5156 1
Schistosoma mansoni alpha-glucosidase 0.0152 0.2207 0.2199
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0085 0.1003 0.0995
Schistosoma mansoni hypothetical protein 0.0052 0.0422 0.0413
Brugia malayi hypothetical protein 0.0133 0.1863 0.1855
Giardia lamblia Fructose-bisphosphate aldolase 0.0317 0.5156 0.5
Onchocerca volvulus 0.0052 0.0422 0.0413
Loa Loa (eye worm) hypothetical protein 0.0133 0.1863 0.1863
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0188 0.0188
Schistosoma mansoni survival motor neuron protein 0.0052 0.0422 0.0413
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0155 0.2256 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0188 0.0178
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.1003 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.0481 0.2099
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0422 0.0413
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0188 0.1797
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0085 0.1003 1
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0588 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.2647 0.264
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.2647 0.264
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.0481 0.0472
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.5156 1
Onchocerca volvulus Huntingtin homolog 0.0133 0.1863 0.1855
Brugia malayi hypothetical protein 0.0257 0.4074 0.4068
Loa Loa (eye worm) intermediate filament protein 0.0029 0.001 0.001
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0317 0.5156 1
Schistosoma mansoni alpha glucosidase 0.0039 0.0188 0.0178
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0588 1 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.4074 0.4074
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.0481 0.0472
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.4074 0.4068
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0058 0.0526 0.0517
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0588 1 1
Schistosoma mansoni hypothetical protein 0.0184 0.2773 0.2767
Echinococcus granulosus geminin 0.0184 0.2773 0.2767
Echinococcus granulosus lysosomal protective protein 0.0588 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0085 0.1003 0.0995
Schistosoma mansoni hypothetical protein 0.0184 0.2773 0.2767
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0085 0.1003 0.5
Loa Loa (eye worm) hypothetical protein 0.0133 0.1863 0.1863
Loa Loa (eye worm) hypothetical protein 0.0085 0.1003 0.1003
Echinococcus granulosus lysosomal alpha glucosidase 0.0177 0.2647 0.264
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0085 0.1003 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.001 0.001
Onchocerca volvulus 0.0102 0.1314 0.1306
Onchocerca volvulus Huntingtin homolog 0.0133 0.1863 0.1855
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.5156 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0155 0.2256 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.5156 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0588 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0085 0.1003 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0317 0.5156 1
Echinococcus granulosus family S10 non peptidase ue S10 family 0.053 0.8961 0.896

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.584 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 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 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 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 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 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 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 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 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
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma 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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