Detailed information for compound 1221970

Basic information

Technical information
  • TDR Targets ID: 1221970
  • Name: 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(phenylm ethylcarbamoyl)acetamide
  • MW: 323.389 | Formula: C19H21N3O2
  • H donors: 2 H acceptors: 2 LogP: 3.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(=O)CN1C(C)Cc2c1cccc2)NCc1ccccc1
  • InChi: 1S/C19H21N3O2/c1-14-11-16-9-5-6-10-17(16)22(14)13-18(23)21-19(24)20-12-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H2,20,21,23,24)
  • InChiKey: CCGXEYHNENSIRR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-methylindolin-1-yl)-N-(phenylmethylcarbamoyl)acetamide
  • 2-(2-methyl-1-indolinyl)-N-[oxo-(phenylmethylamino)methyl]acetamide
  • N-(benzylcarbamoyl)-2-(2-methylindolin-1-yl)acetamide
  • 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(phenylmethylcarbamoyl)ethanamide
  • SMR000343411
  • T5266249
  • MLS000517352

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
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
Brugia malayi Smad1 0.0009 0.0339 0.0308
Echinococcus granulosus cpg binding protein 0.0033 0.2216 0.4131
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.3956 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0339 0.0178
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.3956 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0339 0.0178
Loa Loa (eye worm) RNA binding protein 0.0068 0.5003 0.4987
Echinococcus granulosus tar DNA binding protein 0.0068 0.5003 1
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.5003 0.4987
Echinococcus granulosus Smad4 0.0009 0.0339 0.0178
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.3956 0.7908
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.3956 0.5
Brugia malayi hypothetical protein 0.0039 0.2691 0.2667
Onchocerca volvulus Huntingtin homolog 0.0132 1 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0339 0.0678
Brugia malayi MH2 domain containing protein 0.0129 0.9736 0.9735
Entamoeba histolytica hypothetical protein 0.0039 0.2691 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Brugia malayi MH1 domain containing protein 0.0009 0.0339 0.0308
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0339 0.0178
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0339 0.0178
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0393 0.0362
Brugia malayi MAP kinase sur-1 0.0055 0.3956 0.3937
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.9736 0.9735
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.4363 0.4345
Entamoeba histolytica hypothetical protein 0.0039 0.2691 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0255 0.0509
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.3956 0.5
Brugia malayi MH1 domain containing protein 0.0009 0.0339 0.0308
Schistosoma mansoni cpg binding protein 0.0033 0.2216 0.443
Schistosoma mansoni hypothetical protein 0.0019 0.1143 0.2284
Loa Loa (eye worm) hypothetical protein 0.0132 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3956 1
Echinococcus granulosus smad 0.0009 0.0339 0.0178
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0339 0.0308
Schistosoma mansoni cpg binding protein 0.0031 0.2078 0.4154
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.4797 0.959
Schistosoma mansoni Smad4 0.0009 0.0339 0.0678
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.4248 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1143 0.187
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.2691 0.5379
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0403 0.0311
Echinococcus multilocularis tar DNA binding protein 0.0068 0.5003 1
Entamoeba histolytica hypothetical protein 0.0039 0.2691 0.5
Schistosoma mansoni smad1 5 8 and 0.0009 0.0339 0.0678
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3956 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.4363 0.4345
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.3956 0.7796
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5003 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.3956 0.7796
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5003 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.2691 0.5131
Brugia malayi CXXC zinc finger family protein 0.0031 0.2078 0.2052
Loa Loa (eye worm) hypothetical protein 0.0041 0.2873 0.285
Schistosoma mansoni hypothetical protein 0.0019 0.1143 0.2284
Brugia malayi TAR-binding protein 0.0068 0.5003 0.4987
Schistosoma mansoni hypothetical protein 0.0019 0.1143 0.2284
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0339 0.0678
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3956 1
Loa Loa (eye worm) Smad1 0.0009 0.0339 0.0308
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.3956 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5003 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.3956 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.1143 0.187
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1143 0.1114
Schistosoma mansoni hypothetical protein 0.0041 0.2873 0.5742
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5003 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.5003 0.4987
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1143 0.1114
Schistosoma mansoni hypothetical protein 0.0019 0.1143 0.2284
Schistosoma mansoni tar DNA-binding protein 0.0068 0.5003 1
Onchocerca volvulus Huntingtin homolog 0.0132 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1143 0.1114
Schistosoma mansoni cpg binding protein 0.0033 0.2216 0.443
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0403 0.0311
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.4363 0.4345
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3956 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1143 0.187
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1143 0.187
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.3956 0.3937
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1143 0.187
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1143 0.1114
Echinococcus multilocularis cpg binding protein 0.0033 0.2216 0.4131
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.3956 0.7796
Entamoeba histolytica hypothetical protein 0.0039 0.2691 0.5
Brugia malayi RNA binding protein 0.0068 0.5003 0.4987
Schistosoma mansoni smad 0.0009 0.0339 0.0678
Trypanosoma brucei protein kinase, putative 0.0055 0.3956 0.5
Loa Loa (eye worm) histone methyltransferase 0.001 0.0403 0.0372
Echinococcus granulosus GPCR family 2 0.0019 0.1143 0.187
Brugia malayi MH2 domain containing protein 0.0009 0.0339 0.0308
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.3956 0.5
Brugia malayi MH2 domain containing protein 0.0009 0.0339 0.0308
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.9736 0.9735
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.3956 0.7796
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2873 0.285
Echinococcus multilocularis Smad4 0.0009 0.0339 0.0178
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.2078 0.2052
Schistosoma mansoni smad1 5 8 and 0.0009 0.0339 0.0678
Schistosoma mansoni hypothetical protein 0.0039 0.2691 0.5379
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.3956 0.5
Echinococcus multilocularis smad 0.0009 0.0339 0.0178
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.2691 0.5131
Loa Loa (eye worm) TAR-binding protein 0.0068 0.5003 0.4987
Loa Loa (eye worm) hypothetical protein 0.006 0.4363 0.4345
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0339 0.0308

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 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) 63.0957 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) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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