Detailed information for compound 1461024

Basic information

Technical information
  • TDR Targets ID: 1461024
  • Name: N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1- yl]-3-oxopropyl]thiophene-2-sulfonamide
  • MW: 407.55 | Formula: C19H25N3O3S2
  • H donors: 1 H acceptors: 3 LogP: 2.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)N1CCN(CC1C)C(=O)CCNS(=O)(=O)c1cccs1
  • InChi: 1S/C19H25N3O3S2/c1-15-5-3-6-17(13-15)22-11-10-21(14-16(22)2)18(23)8-9-20-27(24,25)19-7-4-12-26-19/h3-7,12-13,16,20H,8-11,14H2,1-2H3
  • InChiKey: YEZMNVHAWKRRPT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxo-propyl]thiophene-2-sulfonamide
  • N-[3-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-3-oxopropyl]-2-thiophenesulfonamide
  • N-[3-keto-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
  • EU-0088706

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Carboxylesterase family protein 0.0756 1 1
Brugia malayi Carboxylesterase family protein 0.0128 0.1553 0.1553
Loa Loa (eye worm) hypothetical protein 0.0128 0.1553 0.1553
Echinococcus granulosus acetylcholinesterase 0.0756 1 1
Echinococcus multilocularis acetylcholinesterase 0.0756 1 1
Brugia malayi Carboxylesterase family protein 0.0128 0.1553 0.1553
Echinococcus granulosus para nitrobenzyl esterase 0.0128 0.1553 0.1553
Schistosoma mansoni BC026374 protein (S09 family) 0.0128 0.1553 0.1553
Onchocerca volvulus 0.0128 0.1553 1
Schistosoma mansoni acetylcholinesterase 0.0128 0.1553 0.1553
Echinococcus multilocularis BC026374 protein (S09 family) 0.0128 0.1553 0.1553
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0128 0.1553 0.5
Echinococcus granulosus BC026374 protein S09 family 0.0128 0.1553 0.1553
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0128 0.1553 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0128 0.1553 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0128 0.1553 0.1553
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0128 0.1553 0.1553
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0756 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0128 0.1553 0.1553
Loa Loa (eye worm) hypothetical protein 0.0756 1 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.1553 0.1553
Brugia malayi hypothetical protein 0.0128 0.1553 0.1553
Brugia malayi Carboxylesterase family protein 0.0128 0.1553 0.1553
Schistosoma mansoni gliotactin 0.0128 0.1553 0.1553
Mycobacterium ulcerans carboxylesterase, LipT 0.0128 0.1553 0.5
Onchocerca volvulus 0.0128 0.1553 1
Onchocerca volvulus 0.0128 0.1553 1
Loa Loa (eye worm) carboxylesterase 0.0128 0.1553 0.1553
Schistosoma mansoni neuroligin 3 (S09 family) 0.0128 0.1553 0.1553
Loa Loa (eye worm) acetylcholinesterase 1 0.0756 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0128 0.1553 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.1553 0.1553
Loa Loa (eye worm) hypothetical protein 0.0128 0.1553 0.1553
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0128 0.1553 0.1553
Echinococcus multilocularis carboxylesterase 5A 0.0756 1 1
Onchocerca volvulus 0.0128 0.1553 1
Loa Loa (eye worm) hypothetical protein 0.0756 1 1
Loa Loa (eye worm) carboxylesterase 0.0128 0.1553 0.1553
Loa Loa (eye worm) carboxylesterase 0.0756 1 1
Echinococcus granulosus acetylcholinesterase 0.0756 1 1
Echinococcus granulosus neuroligin 0.0128 0.1553 0.1553
Brugia malayi Carboxylesterase family protein 0.0128 0.1553 0.1553
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0128 0.1553 0.1553
Loa Loa (eye worm) hypothetical protein 0.0128 0.1553 0.1553
Loa Loa (eye worm) hypothetical protein 0.0128 0.1553 0.1553
Mycobacterium tuberculosis Carboxylesterase LipT 0.0128 0.1553 0.5
Echinococcus granulosus carboxylesterase 5A 0.0756 1 1
Onchocerca volvulus 0.0128 0.1553 1
Echinococcus multilocularis acetylcholinesterase 0.0756 1 1
Echinococcus multilocularis neuroligin 0.0128 0.1553 0.1553
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0128 0.1553 0.1553
Loa Loa (eye worm) hypothetical protein 0.0128 0.1553 0.1553

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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