Detailed information for compound 1283768

Basic information

Technical information
  • TDR Targets ID: 1283768
  • Name: N-[(4-fluorophenyl)methyl]-2-oxo-2-[1-(2-oxo- 2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
  • MW: 407.437 | Formula: C23H22FN3O3
  • H donors: 1 H acceptors: 3 LogP: 2.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNC(=O)C(=O)c1cn(c2c1cccc2)CC(=O)N1CCCC1
  • InChi: 1S/C23H22FN3O3/c24-17-9-7-16(8-10-17)13-25-23(30)22(29)19-14-27(20-6-2-1-5-18(19)20)15-21(28)26-11-3-4-12-26/h1-2,5-10,14H,3-4,11-13,15H2,(H,25,30)
  • InChiKey: NNFGNVWEHBLXET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-fluorophenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)indol-3-yl]acetamide
  • N-[(4-fluorophenyl)methyl]-2-oxo-2-[1-(2-oxo-2-1-pyrrolidinylethyl)-3-indolyl]acetamide
  • N-(4-fluorobenzyl)-2-keto-2-[1-(2-keto-2-pyrrolidin-1-yl-ethyl)indol-3-yl]acetamide
  • N-[(4-fluorophenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)indol-3-yl]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0589 0.0589
Schistosoma mansoni ryanodine receptor related 0.0119 0.3266 0.3266
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0119 0.3266 0.3266
Trypanosoma cruzi trypanothione reductase, putative 0.028 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.3135 0.3135
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0796 0.0796
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0796 0.0796
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0589 0.0589
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.2341 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0589 0.0589
Echinococcus granulosus ryanodine receptor 44f 0.0085 0.1845 0.1335
Treponema pallidum NADH oxidase 0.0097 0.2341 0.5
Brugia malayi cation channel family protein 0.0182 0.5902 0.5902
Loa Loa (eye worm) hypothetical protein 0.0085 0.1845 0.1845
Echinococcus multilocularis ryanodine receptor 44f 0.0085 0.1845 0.1335
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0589 0.0589
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0101 0.2485 0.0187
Echinococcus multilocularis thioredoxin glutathione reductase 0.028 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0097 0.2341 0.5
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0097 0.2341 0.1357
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0097 0.2337 0.2337
Echinococcus granulosus thioredoxin glutathione reductase 0.028 1 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0097 0.2341 0.1862
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0097 0.2341 0.1357
Loa Loa (eye worm) hypothetical protein 0.0114 0.3044 0.3044
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0097 0.2341 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0097 0.2341 0.1357
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0796 0.0796
Plasmodium falciparum thioredoxin reductase 0.028 1 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0097 0.2341 0.1357
Leishmania major trypanothione reductase 0.028 1 1
Plasmodium falciparum glutathione reductase 0.028 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0097 0.2341 0.5
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0071 0.1263 0.1263
Brugia malayi Thioredoxin reductase 0.028 1 1
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0148 0.4482 0.4482
Toxoplasma gondii thioredoxin reductase 0.028 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0097 0.2341 0.5
Trichomonas vaginalis mercuric reductase, putative 0.0097 0.2341 0.5
Plasmodium vivax thioredoxin reductase, putative 0.028 1 1
Loa Loa (eye worm) glutathione reductase 0.028 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0071 0.1263 0.1263
Echinococcus granulosus ryanodine receptor 44f 0.0066 0.1047 0.0486
Giardia lamblia NADH oxidase lateral transfer candidate 0.0097 0.2341 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0097 0.2341 0.5
Echinococcus multilocularis ryanodine receptor 44f 0.0066 0.1047 0.0486
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0097 0.2341 0.1862
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0097 0.2341 0.2341
Loa Loa (eye worm) thioredoxin reductase 0.028 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0097 0.2341 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0097 0.2341 0.2341
Loa Loa (eye worm) hypothetical protein 0.0097 0.2337 0.2337
Plasmodium vivax glutathione reductase, putative 0.028 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0796 0.0796
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0097 0.2341 0.5
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0101 0.2485 0.0187
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.028 1 1
Trypanosoma brucei trypanothione reductase 0.028 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0589 0.0589

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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 (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.