Detailed information for compound 1704416

Basic information

Technical information
  • TDR Targets ID: 1704416
  • Name: 2-chloro-N-[1-(2,3-dihydro-1H-inden-2-yl)pipe ridin-3-yl]-4-fluorobenzamide
  • MW: 372.864 | Formula: C21H22ClFN2O
  • H donors: 1 H acceptors: 1 LogP: 4.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)Cl)C(=O)NC1CCCN(C1)C1Cc2c(C1)cccc2
  • InChi: 1S/C21H22ClFN2O/c22-20-12-16(23)7-8-19(20)21(26)24-17-6-3-9-25(13-17)18-10-14-4-1-2-5-15(14)11-18/h1-2,4-5,7-8,12,17-18H,3,6,9-11,13H2,(H,24,26)
  • InChiKey: XZUCHPAUQCAKQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-4-fluoro-N-(1-indan-2-yl-3-piperidyl)benzamide
  • 2-chloro-4-fluoro-N-[1-(2-indanyl)-3-piperidinyl]benzamide
  • 2-chloro-N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-fluoro-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, 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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
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
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein, conserved 0.0034 0 0.5
Entamoeba histolytica aminopeptidase, putative 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0816 0.0816
Treponema pallidum methionine aminopeptidase (map) 0.0271 0.9236 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0291 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0816 0.0816
Onchocerca volvulus Dipeptidase C homolog 0.0034 0 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0291 1 1
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0271 0.9236 0.9236
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0271 0.9236 1
Trypanosoma brucei methionine aminopeptidase, putative 0.0291 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.0034 0 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0291 1 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0291 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0271 0.9236 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0291 1 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0291 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0816 0.0816
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0271 0.9236 0.9236
Toxoplasma gondii methionine aminopeptidase 0.0291 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0816 0.0884
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0271 0.9236 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0816 0.0884
Giardia lamblia Methionine aminopeptidase 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0291 1 1
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0034 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0816 0.0816
Entamoeba histolytica peptidase, putative 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0291 1 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0271 0.9236 0.9236
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0816 0.0816
Toxoplasma gondii methionine aminopeptidase 0.0271 0.9236 0.9236
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0271 0.9236 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0271 0.9236 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0271 0.9236 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0034 0 0.5
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0271 0.9236 0.9236
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0291 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0271 0.9236 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Giardia lamblia Xaa-Pro dipeptidase 0.0034 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0816 0.0884
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0816 0.0816
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0271 0.9236 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0291 1 1
Onchocerca volvulus 0.0034 0 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0271 0.9236 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0271 0.9236 1
Giardia lamblia Xaa-Pro dipeptidase 0.0034 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 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

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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