Detailed information for compound 1427350

Basic information

Technical information
  • TDR Targets ID: 1427350
  • Name: N-[3-[(2-chlorophenyl)carbamoyl]phenyl]thioph ene-2-carboxamide
  • MW: 356.826 | Formula: C18H13ClN2O2S
  • H donors: 2 H acceptors: 2 LogP: 4.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)NC(=O)c1cccs1)Nc1ccccc1Cl
  • InChi: 1S/C18H13ClN2O2S/c19-14-7-1-2-8-15(14)21-17(22)12-5-3-6-13(11-12)20-18(23)16-9-4-10-24-16/h1-11H,(H,20,23)(H,21,22)
  • InChiKey: CGXSTKMYQIZALN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[[(2-chlorophenyl)amino]-oxomethyl]phenyl]-2-thiophenecarboxamide
  • Oprea1_040703
  • ZINC01191941

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 nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0858 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1522 0.2624
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5803 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0858 0.0599
Loa Loa (eye worm) RNA binding protein 0.0127 0.5803 0.5684
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.5803 0.5684
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2379 0.2163
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0209 1 0.5
Brugia malayi RNA binding protein 0.0127 0.5803 0.5684
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0276 0.0475
Schistosoma mansoni hypothetical protein 0.0019 0.0276 0.0475
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0858 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5803 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2379 0.2163
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0276 0.0475
Entamoeba histolytica hypothetical protein 0.0043 0.1522 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5803 1
Schistosoma mansoni hypothetical protein 0.0019 0.0276 0.0475
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0858 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0858 0.5
Loa Loa (eye worm) TAR-binding protein 0.0127 0.5803 0.5684
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0858 0.5
Echinococcus granulosus tar DNA binding protein 0.0127 0.5803 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0276 0.0475
Echinococcus granulosus GPCR family 2 0.0019 0.0276 0.0475
Echinococcus multilocularis tar DNA binding protein 0.0127 0.5803 1
Brugia malayi hypothetical protein 0.002 0.0307 0.0032
Entamoeba histolytica hypothetical protein 0.0043 0.1522 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5803 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1405 0.1162
Entamoeba histolytica hypothetical protein 0.0043 0.1522 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0858 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2379 0.2163
Echinococcus multilocularis GPCR, family 2 0.0019 0.0276 0.0475
Brugia malayi TAR-binding protein 0.0127 0.5803 0.5684
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0276 0.0475
Brugia malayi hypothetical protein 0.003 0.0858 0.0599
Loa Loa (eye worm) hypothetical protein 0.006 0.2379 0.2163
Brugia malayi hypothetical protein 0.0043 0.1522 0.1282
Entamoeba histolytica hypothetical protein 0.0043 0.1522 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.1522 0.2624
Schistosoma mansoni tar DNA-binding protein 0.0127 0.5803 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1405 0.1162
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1522 0.2624
Loa Loa (eye worm) hypothetical protein 0.0209 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0276 0.0475
Schistosoma mansoni hypothetical protein 0.0041 0.1405 0.2422
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0858 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.5803 0.5684
Leishmania major hypothetical protein, conserved 0.003 0.0858 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1522 0.2624
Schistosoma mansoni hypothetical protein 0.0019 0.0276 0.0475

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) 9.2 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.