Detailed information for compound 1278964

Basic information

Technical information
  • TDR Targets ID: 1278964
  • Name: 2-(3-diethylaminopropylamino)-N-(2,3-dihydro- 1H-inden-5-yl)acetamide
  • MW: 303.442 | Formula: C18H29N3O
  • H donors: 2 H acceptors: 1 LogP: 2.66 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCNCC(=O)Nc1ccc2c(c1)CCC2)CC
  • InChi: 1S/C18H29N3O/c1-3-21(4-2)12-6-11-19-14-18(22)20-17-10-9-15-7-5-8-16(15)13-17/h9-10,13,19H,3-8,11-12,14H2,1-2H3,(H,20,22)
  • InChiKey: TVHHNFFWBDXLLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-diethylaminopropylamino)-N-indan-5-yl-acetamide
  • 2-(3-diethylaminopropylamino)-N-(5-indanyl)acetamide
  • 2-(3-diethylaminopropylamino)-N-(2,3-dihydro-1H-inden-5-yl)ethanamide
  • MLS000770691
  • SMR000343809
  • T0520-5899

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae conserved hypothetical protein 0.0183 1 1
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.0183 1 1
Brugia malayi hypothetical protein 0.0176 0.9558 0.9558
Loa Loa (eye worm) hypothetical protein 0.0028 0.0487 0.0429
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0183 1 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0183 1 1
Treponema pallidum ribonuclease Z 0.0183 1 0.5
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0183 1 1
Mycobacterium tuberculosis Conserved protein 0.0183 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0487 0.0429
Entamoeba histolytica alkyl sulfatase, putative 0.0183 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Mycobacterium leprae Beta-lactamase-like protein 0.0183 1 1
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.0183 1 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0487 0.0429
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0183 1 1
Schistosoma mansoni zinc phosphodiesterase 0.0183 1 1
Schistosoma mansoni hypothetical protein 0.0183 1 1
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0183 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1314 0.1261
Entamoeba histolytica hypothetical protein, conserved 0.0183 1 1
Mycobacterium tuberculosis Conserved protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.9558 0.9556
Entamoeba histolytica type A flavoprotein, putative 0.0183 1 1
Mycobacterium ulcerans hydrolase 0.0183 1 1
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0183 1 1
Mycobacterium ulcerans hypothetical protein 0.0183 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1681 0.163
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.0183 1 1
Leishmania major metallo-beta-lactamase family protein-like protein 0.0183 1 1
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0183 1 1
Onchocerca volvulus 0.0183 1 1
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0183 1 1
Brugia malayi chromobox protein homolog 3 0.0047 0.1681 0.1681
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1681 0.0919
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1681 0.0919
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0487 0.0487
Loa Loa (eye worm) hypothetical protein 0.006 0.2478 0.2432
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Onchocerca volvulus 0.0176 0.9558 0.9536
Trichomonas vaginalis chromobox protein, putative 0.0084 0.394 0.3385
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0487 0.0429
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0659 0.0602
Brugia malayi hypothetical protein 0.003 0.0659 0.0659
Onchocerca volvulus 0.0037 0.1058 0.06
Trypanosoma cruzi glyoxalase II 0.0183 1 1
Trypanosoma brucei glyoxalase II 0.0183 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0183 1 1
Mycobacterium tuberculosis Possible hydrolase 0.0183 1 1
Plasmodium falciparum cytosolic glyoxalase II 0.0183 1 1
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0183 1 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.0183 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.394 0.3385
Loa Loa (eye worm) hypothetical protein 0.0183 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2478 0.2478
Loa Loa (eye worm) hypothetical protein 0.0037 0.1058 0.1004
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Onchocerca volvulus 0.0183 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.394 0.3903
Loa Loa (eye worm) hypothetical protein 0.003 0.0659 0.0602
Brugia malayi Heterochromatin protein 1 0.0084 0.394 0.394
Trichomonas vaginalis chromobox protein, putative 0.0051 0.19 0.1157
Schistosoma mansoni zinc phosphodiesterase 0.0183 1 1
Mycobacterium ulcerans hydrolase 0.0183 1 1
Echinococcus granulosus ETHE1 protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1314 0.1314
Mycobacterium ulcerans hypothetical protein 0.0183 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2478 0.2478
Echinococcus multilocularis ETHE1 protein 0.0183 1 1
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0183 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0487 0.0429
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Mycobacterium ulcerans hypothetical protein 0.0028 0.0487 0.0429
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0183 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0659 0.0602
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0183 1 1
Mycobacterium tuberculosis Beta lactamase like protein 0.0183 1 1
Plasmodium vivax unspecified product 0.0183 1 1
Leishmania major hypothetical protein, conserved 0.0183 1 1
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0183 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Echinococcus granulosus zinc phosphodiesterase 0.0183 1 1
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.0183 1 0.5
Entamoeba histolytica metallo-beta-lactamase family protein 0.0183 1 1
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.0183 1 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0183 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0487 0.0429
Onchocerca volvulus Putative hydrolase PNKD 0.0183 1 1
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0183 1 1
Brugia malayi metallo-beta-lactamase superfamily protein 0.0183 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2478 0.2432
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0487 0.0429
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0659 0.0602
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0183 1 0.5
Mycobacterium ulcerans hydrolase 0.0183 1 1
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0183 1 1
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.0183 1 1
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0183 1 1
Entamoeba histolytica alkyl sulfatase, putative 0.0183 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0183 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0487 0.0429
Mycobacterium ulcerans Zn-dependent glyoxylase 0.0183 1 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0183 1 1
Schistosoma mansoni chromobox protein 0.0084 0.394 0.3024
Trichomonas vaginalis chromobox protein, putative 0.0051 0.19 0.1157
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0487 0.0429
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0487 0.0429
Trichomonas vaginalis apoptosis inducing factor, putative 0.0183 1 1
Schistosoma mansoni hypothetical protein 0.0183 1 1
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0183 1 0.5
Mycobacterium ulcerans beta lactamase-like protein 0.0183 1 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0487 0.0487
Chlamydia trachomatis ribonuclease Z 0.0183 1 1
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0183 1 0.5
Mycobacterium tuberculosis Possible hydrolase 0.0183 1 1
Mycobacterium tuberculosis Conserved protein 0.0183 1 1
Trypanosoma cruzi glyoxalase II 0.0183 1 1
Mycobacterium ulcerans glyoxalase II, GloB 0.0183 1 1
Trypanosoma cruzi glyoxalase II 0.0183 1 1
Mycobacterium leprae conserved hypothetical protein 0.0183 1 1
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0183 1 1
Echinococcus multilocularis zinc phosphodiesterase 0.0183 1 1
Trichomonas vaginalis A-type flavoprotein 0.0183 1 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0183 1 1
Leishmania major metallo-beta-lactamase family-like protein 0.0183 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0487 0.0429
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.1681 0.1255
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 1 1
Schistosoma mansoni hypothetical protein 0.0183 1 1
Mycobacterium leprae POSSIBLE HYDROLASE 0.0183 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0183 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0487 0.0429
Mycobacterium ulcerans hypothetical protein 0.0183 1 1
Mycobacterium ulcerans hypothetical protein 0.0183 1 1
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0183 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.19 0.1485
Leishmania major cleavage and polyadenylation specificity factor, putative 0.0183 1 1
Brugia malayi hypothetical protein 0.0183 1 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0487 0.0487
Leishmania major hypothetical protein, conserved 0.003 0.0659 0.0181
Schistosoma mansoni chromobox protein 0.0084 0.394 0.3024
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0183 1 1
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0183 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 116.69 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1122 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 17.7828 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
Potency (functional) = 22.3342 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 35.4813 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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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