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
Schistosoma mansoni chromobox protein 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
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
Trichomonas vaginalis chromobox protein, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox 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
Trichomonas vaginalis chromobox protein, 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
Theileria parva hypothetical protein 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
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus 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
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
Chlamydia trachomatis ribonuclease Z 0.0183 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0487 0.0429
Trypanosoma brucei metallo-beta-lactamase-like protein, putative 0.0183 1 1
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0183 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Schistosoma mansoni chromobox protein 0.0084 0.394 0.3024
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0183 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2478 0.2478
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0183 1 0.5
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0183 1 1
Schistosoma mansoni 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
Onchocerca volvulus 0.0183 1 1
Plasmodium vivax unspecified product 0.0183 1 1
Entamoeba histolytica alkyl sulfatase, putative 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1681 0.163
Giardia lamblia Hydroxyacylglutathione hydrolase 0.0183 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1314 0.1314
Toxoplasma gondii metallo-beta-lactamase domain-containing protein 0.0183 1 1
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0183 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.394 0.3903
Trypanosoma brucei glyoxalase II 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
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0183 1 1
Brugia malayi chromobox protein homolog 3 0.0047 0.1681 0.1681
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.1681 0.1255
Toxoplasma gondii hydroxyacylglutathione hydrolase 0.0183 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0659 0.0602
Plasmodium falciparum cytosolic glyoxalase II 0.0183 1 1
Treponema pallidum ribonuclease Z 0.0183 1 0.5
Schistosoma mansoni zinc phosphodiesterase 0.0183 1 1
Mycobacterium ulcerans hypothetical 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
Mycobacterium leprae POSSIBLE HYDROLASE 0.0183 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0183 1 1
Mycobacterium ulcerans glyoxalase II, GloB 0.0183 1 1
Mycobacterium leprae conserved hypothetical protein 0.0183 1 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0183 1 1
Schistosoma mansoni chromobox protein 0.0084 0.394 0.3024
Mycobacterium ulcerans beta lactamase-like protein 0.0183 1 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0183 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2478 0.2432
Brugia malayi hypothetical protein 0.0176 0.9558 0.9558
Trypanosoma cruzi metallo-beta-lactamase superfamily, putative 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1058 0.1004
Brugia malayi hypothetical protein 0.003 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.003 0.0659 0.0602
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.19 0.1485
Brugia malayi Heterochromatin protein 1 0.0084 0.394 0.394
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0183 1 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0487 0.0487
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1681 0.0919
Onchocerca volvulus 0.0037 0.1058 0.06
Loa Loa (eye worm) hypothetical protein 0.006 0.2478 0.2432
Onchocerca volvulus 0.0176 0.9558 0.9536
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Onchocerca volvulus 0.0183 1 1
Echinococcus granulosus zinc phosphodiesterase 0.0183 1 1
Schistosoma mansoni hypothetical protein 0.0183 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Mycobacterium ulcerans hydrolase 0.0183 1 1
Onchocerca volvulus Putative hydrolase PNKD 0.0183 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0183 1 1
Entamoeba histolytica metallo-beta-lactamase family protein 0.0183 1 1
Mycobacterium ulcerans hypothetical protein 0.0183 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.394 0.3385
Schistosoma mansoni zinc phosphodiesterase 0.0183 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0487 0.0429
Leishmania major hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative 0.0183 1 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0183 1 1
Leishmania major cleavage and polyadenylation specificity factor, putative 0.0183 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0487 0.0429
Entamoeba histolytica metallo-beta-lactamase family protein 0.0183 1 1
Mycobacterium ulcerans hydrolase 0.0183 1 1
Leishmania major hypothetical protein, conserved 0.003 0.0659 0.0181
Brugia malayi metallo-beta-lactamase superfamily protein 0.0183 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0183 1 1
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0487 0.0429
Mycobacterium tuberculosis Beta lactamase like protein 0.0183 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0487 0.0429
Mycobacterium ulcerans hypothetical protein 0.0183 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1681 0.0919
Mycobacterium leprae Beta-lactamase-like protein 0.0183 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0487 0.0429
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0659 0.0602
Echinococcus granulosus ETHE1 protein 0.0183 1 1
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0183 1 1
Trypanosoma cruzi hydroxyacylglutathione hydrolase, putative 0.0183 1 1
Trypanosoma cruzi glyoxalase II 0.0183 1 1
Leishmania major metallo-beta-lactamase family protein-like protein 0.0183 1 1
Trypanosoma cruzi glyoxalase II 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0487 0.0429
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0487 0.0429
Entamoeba histolytica hypothetical protein, conserved 0.0183 1 1
Mycobacterium ulcerans Zn-dependent glyoxylase 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0487 0.0429
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0183 1 1
Echinococcus multilocularis zinc phosphodiesterase 0.0183 1 1
Mycobacterium leprae conserved hypothetical protein 0.0183 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0183 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2478 0.2478
Mycobacterium ulcerans hypothetical protein 0.0028 0.0487 0.0429
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0183 1 1
Schistosoma mansoni hypothetical protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.9558 0.9556
Trypanosoma brucei cleavage and polyadenylation specificity factor subunit, putative 0.0183 1 1
Mycobacterium ulcerans hypothetical protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 1 1
Giardia lamblia Metallo-beta-lactamase superfamily protein 0.0183 1 0.5
Trichomonas vaginalis chromobox protein, putative 0.0084 0.394 0.3385
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0659 0.0602
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0183 1 1
Leishmania major metallo-beta-lactamase family-like protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0487 0.0429
Brugia malayi hypothetical protein 0.0183 1 1
Trichomonas vaginalis apoptosis inducing factor, putative 0.0183 1 1
Mycobacterium tuberculosis Possible hydrolase 0.0183 1 1
Mycobacterium tuberculosis Conserved protein 0.0183 1 1
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1314 0.1261
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0183 1 1
Entamoeba histolytica alkyl sulfatase, putative 0.0183 1 1
Mycobacterium tuberculosis Possible hydrolase 0.0183 1 1
Trypanosoma brucei hydroxyacylglutathione hydrolase, putative 0.0183 1 1
Entamoeba histolytica metallo-beta-lactamase superfamily protein 0.0183 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0183 1 1
Mycobacterium tuberculosis Conserved protein 0.0183 1 1
Trypanosoma cruzi glyoxalase II 0.0183 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 1 1
Leishmania major hypothetical protein, conserved 0.0183 1 1
Mycobacterium ulcerans hydrolase 0.0183 1 1
Mycobacterium tuberculosis Conserved protein 0.0183 1 1
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0183 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0183 1 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.19 0.1157
Brugia malayi metallo-beta-lactamase superfamily protein 0.0183 1 1
Echinococcus multilocularis ETHE1 protein 0.0183 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Trichomonas vaginalis beta lactamase domain, putative 0.0183 1 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0487 0.0487
Trichomonas vaginalis A-type flavoprotein 0.0183 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0487 0.0429
Trypanosoma cruzi metallo-beta-lactamase-like protein, putative 0.0183 1 1
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0183 1 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0183 1 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0487 0.0487
Trichomonas vaginalis chromobox protein, putative 0.0051 0.19 0.1157

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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