Detailed information for compound 1598079

Basic information

Technical information
  • TDR Targets ID: 1598079
  • Name: N-[3-(4-chlorophenyl)propyl]-2-(3-fluoro-4-me thanesulfonamidophenyl)propanamide
  • MW: 412.906 | Formula: C19H22ClFN2O3S
  • H donors: 2 H acceptors: 3 LogP: 3.71 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccc(c(c1)F)NS(=O)(=O)C)C)NCCCc1ccc(cc1)Cl
  • InChi: 1S/C19H22ClFN2O3S/c1-13(15-7-10-18(17(21)12-15)23-27(2,25)26)19(24)22-11-3-4-14-5-8-16(20)9-6-14/h5-10,12-13,23H,3-4,11H2,1-2H3,(H,22,24)
  • InChiKey: BMBZWMQGQVEOCP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(4-chlorophenyl)propyl]-2-(3-fluoro-4-methanesulfonamido-phenyl)propanamide
  • N-[3-(4-chlorophenyl)propyl]-2-(3-fluoro-4-methanesulfonamido-phenyl)propionamide
  • N-[3-(4-chlorophenyl)propyl]-2-[3-fluoro-4-(methylsulfonylamino)phenyl]propanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Vanilloid receptor Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0138 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0138 1 1
Onchocerca volvulus 0.0023 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0138 1 1
Echinococcus granulosus acetylcholinesterase 0.0138 1 1
Brugia malayi Carboxylesterase family protein 0.0138 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0138 1 1
Onchocerca volvulus 0.0023 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0138 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0138 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0138 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0138 1 1
Loa Loa (eye worm) hypothetical protein 0.0138 1 1
Echinococcus granulosus carboxylesterase 5A 0.0138 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) Agonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay ChEMBL. 22227463
Ki (functional) = 135 nM Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay ChEMBL. 22227463
Ki (binding) = 470 nM Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells ChEMBL. 22227463

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.

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