Detailed information for compound 1234893

Basic information

Technical information
  • TDR Targets ID: 1234893
  • Name: N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-th iophen-2-ylpropan-2-yl]pyridine-4-carboxamide
  • MW: 436.57 | Formula: C24H28N4O2S
  • H donors: 1 H acceptors: 2 LogP: 3.41 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)C(C(NC(=O)c1ccncc1)C)c1cccs1
  • InChi: 1S/C24H28N4O2S/c1-18(26-24(29)19-9-11-25-12-10-19)23(22-8-5-17-31-22)28-15-13-27(14-16-28)20-6-3-4-7-21(20)30-2/h3-12,17-18,23H,13-16H2,1-2H3,(H,26,29)
  • InChiKey: DQIPAQIQIVTNGC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-2-(2-thienyl)ethyl]pyridine-4-carboxamide
  • N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methyl-2-(2-thienyl)ethyl]-4-pyridinecarboxamide
  • N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-2-(2-thienyl)ethyl]isonicotinamide
  • N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]pyridine-4-carboxamide
  • MLS000420198
  • SMR000320044

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0869 1 0.5
Echinococcus granulosus sodium:hydrogen exchanger 0.0869 1 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0869 1 1
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0869 1 0.5
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0869 1 1
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0869 1 1
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0869 1 0.5
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) 0.0869 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0869 1 0.5
Echinococcus multilocularis sodium:hydrogen exchanger 0.0869 1 1
Loa Loa (eye worm) hypothetical protein 0.0869 1 0.5
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein 0.0869 1 0.5
Giardia lamblia Sodium/hydrogen exchanger 3 0.0869 1 0.5
Loa Loa (eye worm) sodium/hydrogen exchanger 0.0869 1 0.5
Echinococcus multilocularis sodium:hydrogen exchanger 0.0869 1 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0869 1 1
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0869 1 1
Loa Loa (eye worm) hypothetical protein 0.0869 1 0.5
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0869 1 1
Schistosoma mansoni sodium/hydrogen exchanger 0.0869 1 0.5
Echinococcus granulosus sodium:hydrogen exchanger 0.0869 1 1
Loa Loa (eye worm) NHE-3 0.0869 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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 (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 16.5113 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum 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.